Summary

IMPPAT Phytochemical identifier: IMPHY016361

Phytochemical name: 3-Ethylpyridine

Synonymous chemical names:
3-ethylpyridine

External chemical identifiers:
CID:10823, ChEMBL:CHEMBL23025, ChEBI:169025, ZINC:ZINC000002034880, FDASRS:A25I3EZ88V, SureChEMBL:SCHEMBL10607, MolPort-001-789-486

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Chemical structure information

SMILES:
CCc1cccnc1

InChI:
InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3

InChIKey:
MFEIKQPHQINPRI-UHFFFAOYSA-N

DeepSMILES:
CCccccnc6

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

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.325

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Chemical structure download