Summary

IMPPAT Phytochemical identifier: IMPHY008163

Phytochemical name: 2-Methyl-5-vinylpyridine

Synonymous chemical names:
2-methyl-5-(1-methyl-ethenyl)-pyridine

External chemical identifiers:
CID:8817, ZINC:ZINC000002040980, FDASRS:34ET764YF8, SureChEMBL:SCHEMBL36005, MolPort-005-909-507

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Chemical structure information

SMILES:
C=Cc1ccc(nc1)C

InChI:
InChI=1S/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3

InChIKey:
VJOWMORERYNYON-UHFFFAOYSA-N

DeepSMILES:
C=Cccccnc6))C

Functional groups:
cC=C, 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: -0.704

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Chemical structure download