2,6-Dimethylpyridine
PubChem CID: 7937
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| Compound Synonyms | 2,6-Dimethylpyridine, 2,6-LUTIDINE, 108-48-5, Lutidine, Pyridine, 2,6-dimethyl-, 2,6-Dimethypyridine, alpha,alpha'-Lutidine, 2,6-dimethyl-pyridine, alpha,alpha'-Dimethylpyridine, FEMA No. 3540, 2,6-Lutidene, HSDB 79, NSC 2155, EINECS 203-587-3, UNII-15FQ5D0T3P, MFCD00006345, 15FQ5D0T3P, 2,6-Litidine-d6, DTXSID7051557, CHEBI:32548, AI3-24282, .alpha.,.alpha.'-Dimethylpyridine, NSC-2155, 2,6-Lutidine, 8CI, .alpha.,.alpha.'-Lutidine, 2,6-LUTIDINE [MI], 2,6-LUTIDINE [HSDB], DTXCID1030109, DIMETHYLPYRIDINE, 2,6-, FEMA 3540, 2,6-DIMETHYLPYRIDINE [FHFI], 2,6-DIMETHYLPYRIDINE-D9, LUT, alpha,alpha'-Lutidin, lutidin, 2,6-Lutidine (8CI), 2,6-Dimethylpyridine, NSC 2155, a,a'-Dimethylpyridine, a,a'-Lutidine, a,Alpha'-lutidine, 2,6Lutidine, 2,6 lutidine, 2-6-lutidine, 2.6-lutidine, 2,6dimethylpyridine, alpha,alpha'Lutidine, 2,6 -lutidine, 2,6- lutidine, LUTIDENE, 2,6-dimethylpiridine, 2.6-dimethylpyridine, 2,6-dimethyl pyridin, 2,6-dimethyl pyridine, Pyridine, 2,6dimethyl, a,Alpha'-dimethylpyridine, alpha,alpha'Dimethylpyridine, .alpha.,.alpha.'-Lutidin, 2,6-Lutidine, redistilled, SCHEMBL9611, CHEMBL22976, 2,6-Dimethylpyridine, >=99%, NSC2155, 2,6-Dimethylpyridine, redistilled, 2,6-Lutidine, analytical standard, Tox21_303862, BBL013176, STL163956, AKOS005716680, AC-5116, FL15912, 2,6-Lutidine, ReagentPlus(R), 98%, NCGC00357127-01, BP-30085, BP-31131, CAS-108-48-5, DB-013994, L0067, NS00010862, EN300-19113, F91703, 2,6-Lutidine, purified by redistillation, >=99%, A801883, AC-907/25014177, Q209284, F0001-0171, Z104472820, Capping B2 (60 % lutidine in acetonitrile, for AKTA oligopilottrade mark) NC-0807, GL45 thread emp Biotech GmbH |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | Ccccccn6)C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Pyridines and derivatives |
| Description | 2,6-dimethylpyridine, also known as 2,6-lutidine or alpha,alpha'-lutidine, is a member of the class of compounds known as methylpyridines. Methylpyridines are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group. 2,6-dimethylpyridine is soluble (in water) and a very strong basic compound (based on its pKa). 2,6-dimethylpyridine is an amine, bready, and cocoa tasting compound found in alcoholic beverages, cereals and cereal products, peppermint, and tea, which makes 2,6-dimethylpyridine a potential biomarker for the consumption of these food products. 2,6-dimethylpyridine can be found primarily in feces. 2,6-dimethylpyridine is a natural heterocyclic aromatic organic compound with the formula (CH3)2C5H3N. It is one of several dimethyl-substituted derivative of pyridine. It is a colorless liquid with mildly basic properties and a pungent, noxious odor . |
| Scaffold Graph Node Level | C1CCNCC1 |
| Classyfire Subclass | Methylpyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 62.8 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q05941 |
| Iupac Name | 2,6-dimethylpyridine |
| Class | Pyridines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Methylpyridines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H9N |
| Scaffold Graph Node Bond Level | c1ccncc1 |
| Inchi Key | OISVCGZHLKNMSJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | 2,6-Lutidine, alpha,Alpha'-dimethylpyridine, alpha,Alpha'-lutidine, lut, Lutidine, a,Alpha'-dimethylpyridine, Α,alpha'-dimethylpyridine, a,Alpha'-lutidine, Α,alpha'-lutidine, 2,6-Dimethyl-pyridine, 2,6-Dimethypyridine, 2,6-Lutidene, 2,6-Lutidine, 8ci, alpha,Alpha'-lutidin, FEMA 3540, HSDB 79, 2,6-dimethylpyridine, pyridine, 2,6-dimethyl- |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 2,6-Dimethylpyridine |
| Kingdom | Organic compounds |
| Exact Mass | 107.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 107.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 107.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3 |
| Smiles | CC1=NC(=CC=C1)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Methylpyridines |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3517 - 3. Outgoing r'ship
FOUND_INto/from Coffea Canephora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3517 - 4. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699369