| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:41:32 UTC |
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| Updated at | 2021-01-04 18:49:01 UTC |
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| CannabisDB ID | CDB005646 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 6-Methyl-2,2'-bipyridine |
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| Description | 6-Methyl-2,2'-bipyridine or 6-methyl-2-(2-pyridyl)pyridine is a methylated derivative of 2,2'-bipyridine. It is one of several structural isomers of methyl-2,2'-bipyridine which is substituted by one methyl group at different positions of pyridine rings. 6-Methyl-2,2'-bipyridine belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. Pyridine is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. 2,2'-bipyridine is one of six isomers of bipyridine and an important chelating ligand in academic studies. 2,2'-bipyridine is a colorless solid that is soluble in organic solvents and slightly soluble in water. 2,2′-Bipyridine is used in the manufacture of diquat. Diquat as a salt with bromide or chloride has herbicide properties. Methyl-2,2'-bipyridines are found in marijuana smoke. 6-Methyl-2,2'-bipyridine is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C11H10N2 |
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| Average Molecular Weight | 170.22 |
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| Monoisotopic Molecular Weight | 170.0844 |
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| IUPAC Name | 6-methyl-2,2'-bipyridine |
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| Traditional Name | 6-methyl-2,2'-bipyridine |
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| CAS Registry Number | 56100-22-2 |
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| SMILES | CC1=NC(=CC=C1)C1=CC=CC=N1 |
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| InChI Identifier | InChI=1S/C11H10N2/c1-9-5-4-7-11(13-9)10-6-2-3-8-12-10/h2-8H,1H3 |
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| InChI Key | LLCYXFYLGPOKQO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyridines and derivatives |
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| Sub Class | Bipyridines and oligopyridines |
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| Direct Parent | Bipyridines and oligopyridines |
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| Alternative Parents | |
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| Substituents | - Bipyridine
- Methylpyridine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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| Spectra |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 554942 |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 639521 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | Not Available |
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