Structural Complex
Chemical ID: F4Z
IUPAC Name: 3,5,6-trichloro-2-pyridinol
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: C5 H2 Cl3 N O
Molecular weight: 198.434
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 1
Rotatable Bonds: 1
Heavy Atoms: 10
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.6 3,5,6-tris(chloranyl)pyridin-2-ol
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.03 InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)
InChIKey InChI 1.03 WCYYAQFQZQEUEN-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 Oc1nc(Cl)c(Cl)cc1Cl
SMILES CACTVS 3.385 Oc1nc(Cl)c(Cl)cc1Cl
SMILES_CANONICAL OpenEye OEToolkits 2.0.6 c1c(c(nc(c1Cl)Cl)O)Cl
SMILES OpenEye OEToolkits 2.0.6 c1c(c(nc(c1Cl)Cl)O)Cl
Chemical Database Mapping
Database Reference ID
ChEMBL CHEMBL3186214
PubChem 23017
ChEBI CHEBI:143794,CHEBI:83490
SureChEMBL 10807416,1168410,29846179
HMDB HMDB0039853
Feedback Form
Name
Email
Institute
Feedback