Summary

IMPPAT Phytochemical identifier: IMPHY017708

Phytochemical name: 2-Heptylpyridine

Synonymous chemical names:
2-heptylpyridine

External chemical identifiers:
CID:72919, ZINC:ZINC000001996011, SureChEMBL:SCHEMBL919951

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Chemical structure information

SMILES:
CCCCCCCc1ccccn1

InChI:
InChI=1S/C12H19N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h7-8,10-11H,2-6,9H2,1H3

InChIKey:
DYCPESWJKDONHC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCcccccn6

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: -0.868

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Chemical structure download