Structural Complex
Chemical ID: Y8J
IUPAC Name: 3-butylpyridine
Formal Charge: 0
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: c1ccncc1
InChI: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C9 H13 N
Molecular weight: 135.206
Hydrogen Bond Acceptor: 1
Hydrogen Bond Donor: 0
Rotatable Bonds: 4
Heavy Atoms: 10
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 3-butylpyridine
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.03 InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3
InChIKey InChI 1.03 QSNMFWFDOFQASV-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 CCCCc1cccnc1
SMILES CACTVS 3.385 CCCCc1cccnc1
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 CCCCc1cccnc1
SMILES OpenEye OEToolkits 2.0.7 CCCCc1cccnc1
Chemical Database Mapping
Database Reference ID
PubChem 10874
ChEBI CHEBI:173362
SureChEMBL 681571
HMDB HMDB0032934
Feedback Form
Name
Email
Institute
Feedback