Structural Complex
Chemical ID: PY7
IUPAC Name: PYRIDIN-4-YLMETHANOL
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: C6 H7 N O
Molecular weight: 109.126
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 1
Rotatable Bonds: 2
Heavy Atoms: 8
Systematic name
Program Version Descriptor
ACDLabs 10.04 pyridin-4-ylmethanol
OpenEye OEToolkits 1.5.0 pyridin-4-ylmethanol
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 10.04 OCc1ccncc1
SMILES_CANONICAL CACTVS 3.341 OCc1ccncc1
SMILES CACTVS 3.341 OCc1ccncc1
SMILES_CANONICAL OpenEye OEToolkits 1.5.0 c1cnccc1CO
SMILES OpenEye OEToolkits 1.5.0 c1cnccc1CO
InChI InChI 1.03 InChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2
InChIKey InChI 1.03 PTMBWNZJOQBTBK-UHFFFAOYSA-N
Chemical Database Mapping
Database Reference ID
ChEMBL CHEMBL1235528
PubChem 11472
SureChEMBL 102606
Feedback Form
Name
Email
Institute
Feedback