Summary

IMPPAT Phytochemical identifier: IMPHY017687

Phytochemical name: 2-Isopropylpyridine

Synonymous chemical names:
2-isopropylpyridine

External chemical identifiers:
CID:69523, ZINC:ZINC000008294975, FDASRS:7IZ3XFD8G4, SureChEMBL:SCHEMBL79529, MolPort-005-980-571

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Chemical structure information

SMILES:
CC(c1ccccn1)C

InChI:
InChI=1S/C8H11N/c1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3

InChIKey:
PFYPDUUXDADWKC-UHFFFAOYSA-N

DeepSMILES:
CCcccccn6))))))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

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.359

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Chemical structure download