Summary

IMPPAT Phytochemical identifier: IMPHY006136

Phytochemical name: 2-Vinylpyridine

Synonymous chemical names:
2-vinyl-pyridine, 2-vinylpyridine, pyridine, 2 vinyl

External chemical identifiers:
CID:7521, ChEMBL:CHEMBL2134875, ZINC:ZINC000001769022, FDASRS:DT4UV4NNKX, SureChEMBL:SCHEMBL15193, MolPort-001-767-607

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Chemical structure information

SMILES:
C=Cc1ccccn1

InChI:
InChI=1S/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2

InChIKey:
KGIGUEBEKRSTEW-UHFFFAOYSA-N

DeepSMILES:
C=Ccccccn6

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

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -0.861

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Chemical structure download