Summary

IMPPAT Phytochemical identifier: IMPHY017728

Phytochemical name: 2-Ethylpyridine

Synonymous chemical names:
2-ethylpyridine

External chemical identifiers:
CID:7523, ChEMBL:CHEMBL279305, ZINC:ZINC000008294956, FDASRS:06X1W46PYX, SureChEMBL:SCHEMBL54892, MolPort-001-789-195

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Chemical structure information

SMILES:
CCc1ccccn1

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

InChIKey:
NRGGMCIBEHEAIL-UHFFFAOYSA-N

DeepSMILES:
CCcccccn6

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: -1.859

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Chemical structure download