Summary

IMPPAT Phytochemical identifier: IMPHY017744

Phytochemical name: 2-Butylpyridine

Synonymous chemical names:
2-butylpyridine

External chemical identifiers:
CID:78750, ZINC:ZINC000001587744, FDASRS:54XCM5F4F7, SureChEMBL:SCHEMBL64052, MolPort-002-317-338

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Chemical structure information

SMILES:
CCCCc1ccccn1

InChI:
InChI=1S/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3

InChIKey:
ADSOSINJPNKUJK-UHFFFAOYSA-N

DeepSMILES:
CCCCcccccn6

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: -1.471

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Chemical structure download