Summary

IMPPAT Phytochemical identifier: IMPHY017105

Phytochemical name: 3-Vinylpyridine

Synonymous chemical names:
3-ethenylpyridine

External chemical identifiers:
CID:14272, ZINC:ZINC000002039882, FDASRS:R9ZU09Z27A, SureChEMBL:SCHEMBL20995, MolPort-001-770-228

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Chemical structure information

SMILES:
C=Cc1cccnc1

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

InChIKey:
DPZYLEIWHTWHCU-UHFFFAOYSA-N

DeepSMILES:
C=Cccccnc6

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: -0.613

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Chemical structure download