Summary

IMPPAT Phytochemical identifier: IMPHY016453

Phytochemical name: 5-Ethyl-2-methylpyridine

Synonymous chemical names:
5-ethyl-2-methylpyridine

External chemical identifiers:
CID:7728, ChEMBL:CHEMBL227181, ZINC:ZINC000000967331, FDASRS:WG205CGK3Y, SureChEMBL:SCHEMBL24448, MolPort-001-767-610

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Chemical structure information

SMILES:
CCc1ccc(nc1)C

InChI:
InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3

InChIKey:
NTSLROIKFLNUIJ-UHFFFAOYSA-N

DeepSMILES:
CCccccnc6))C

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

ClassyFire Subclass: Methylpyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.262

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Chemical structure download