Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007196

Phytochemical name: 2,6-Dimethylpyridine

Synonymous chemical names:
pyridine, 2,6-dimethyl-, 2,6-dimethylpyridine

External chemical identifiers:
CID:CID_7937, ChEMBL:CHEMBL22976, ChEBI:CHEBI:32548, ZINC:ZINC000000967330, FDASRS:15FQ5D0T3P, SureChEMBL:SCHEMBL9611, MolPort-001-768-901

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Chemical structure information

SMILES:
Cc1cccc(n1)C

InChI:
InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3

InChIKey:
OISVCGZHLKNMSJ-UHFFFAOYSA-N

DeepSMILES:
Ccccccn6)C

Functional groups:
cnc

Link to spectral information:
MSBNK-CASMI_2016-SM807301, MSBNK-Fac_Eng_Univ_Tokyo-JP003932

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccncc1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Methylpyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.139

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Chemical structure download