Summary

IMPPAT Phytochemical identifier: IMPHY015403

Phytochemical name: 5-Acetyl-2-methylpyridine

Synonymous chemical names:
5-acetyl-2-methylpyridine

External chemical identifiers:
CID:95292, ZINC:ZINC000001641743, FDASRS:0H4J36GB7B, SureChEMBL:SCHEMBL575041, MolPort-000-160-182

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Chemical structure information

SMILES:
Cc1ccc(cn1)C(=O)C

InChI:
InChI=1S/C8H9NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3

InChIKey:
PVRYOKQFLBSILA-UHFFFAOYSA-N

DeepSMILES:
Ccccccn6))C=O)C

Functional groups:
cC(C)=O, 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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.244

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Chemical structure download