Summary

IMPPAT Phytochemical identifier: IMPHY016986

Phytochemical name: 2,3-Dimethylpyridine

Synonymous chemical names:
2,3-dimethylpyridine

External chemical identifiers:
CID:11420, ChEMBL:CHEMBL3303914, ZINC:ZINC000008294963, FDASRS:5Q0F649H6G, SureChEMBL:SCHEMBL65397, MolPort-003-952-268

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Chemical structure information

SMILES:
Cc1ncccc1C

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

InChIKey:
HPYNZHMRTTWQTB-UHFFFAOYSA-N

DeepSMILES:
Ccncccc6C

Functional groups:
cnc

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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: -0.985

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Chemical structure download