Summary

IMPPAT Phytochemical identifier: IMPHY005076

Phytochemical name: 2-Pentylpyridine

Synonymous chemical names:
2-pentylpyridine

External chemical identifiers:
CID:16800, ZINC:ZINC000003881710, FDASRS:9N74L1UD11, SureChEMBL:SCHEMBL300432, MolPort-001-766-116

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Chemical structure information

SMILES:
CCCCCc1ccccn1

InChI:
InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3

InChIKey:
HSDXVAOHEOSTFZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCcccccn6

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: -1.123

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Chemical structure download