3-(2,3-difluorophenyl)-5-hydroxybenzonitrile

C13H7F2NO — CID 53219944

IUPAC3-(2,3-difluorophenyl)-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)cc(-c2cccc(F)c2F)c1
InChIInChI=1S/C13H7F2NO/c14-12-3-1-2-11(13(12)15)9-4-8(7-16)5-10(17)6-9/h1-6,17H
InChIKeyWCECSBPMTHQLLT-UHFFFAOYSA-N
MW231.20 g/mol
LogP3.21
Rot. Bonds1

About 3-(2,3-difluorophenyl)-5-hydroxybenzonitrile

3-(2,3-difluorophenyl)-5-hydroxybenzonitrile (PubChem CID 53219944) has the molecular formula C13H7F2NO and a molecular weight of 231.20 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-5-hydroxybenzonitrile.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-5-hydroxybenzonitrile
PubChem CID53219944
Molecular FormulaC13H7F2NO
Molecular Weight231.20 g/mol
Exact Mass231.05
IUPAC Name3-(2,3-difluorophenyl)-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)cc(-c2cccc(F)c2F)c1
InChIInChI=1S/C13H7F2NO/c14-12-3-1-2-11(13(12)15)9-4-8(7-16)5-10(17)6-9/h1-6,17H
InChIKeyWCECSBPMTHQLLT-UHFFFAOYSA-N
XLogP3.21
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-difluorophenyl)-5-hydroxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-5-hydroxybenzonitrile?
The IUPAC name of 3-(2,3-difluorophenyl)-5-hydroxybenzonitrile (CID 53219944) is 3-(2,3-difluorophenyl)-5-hydroxybenzonitrile.
What is the SMILES notation for 3-(2,3-difluorophenyl)-5-hydroxybenzonitrile?
The canonical SMILES for 3-(2,3-difluorophenyl)-5-hydroxybenzonitrile is N#Cc1cc(O)cc(-c2cccc(F)c2F)c1.
What is the InChIKey of 3-(2,3-difluorophenyl)-5-hydroxybenzonitrile?
The InChIKey is WCECSBPMTHQLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NO/c14-12-3-1-2-11(13(12)15)9-4-8(7-16)5-10(17)6-9/h1-6,17H.
What are the key properties of 3-(2,3-difluorophenyl)-5-hydroxybenzonitrile?
3-(2,3-difluorophenyl)-5-hydroxybenzonitrile has a molecular weight of 231.20 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-5-hydroxybenzonitrile is sourced from PubChem (CID 53219944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).