3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile

C18H11ClN2O2 — CID 25023971

IUPAC3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(-c3ccncc3)cc2O)c(Cl)c1
InChIInChI=1S/C18H11ClN2O2/c19-15-9-12(11-20)1-3-17(15)23-18-4-2-14(10-16(18)22)13-5-7-21-8-6-13/h1-10,22H
InChIKeyXNNKBVIHPSHNHS-UHFFFAOYSA-N
MW322.75 g/mol
LogP4.77
Rot. Bonds3

About 3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile

3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile (PubChem CID 25023971) has the molecular formula C18H11ClN2O2 and a molecular weight of 322.75 g/mol. Its IUPAC name is 3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile
PubChem CID25023971
Molecular FormulaC18H11ClN2O2
Molecular Weight322.75 g/mol
Exact Mass322.05
IUPAC Name3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(-c3ccncc3)cc2O)c(Cl)c1
InChIInChI=1S/C18H11ClN2O2/c19-15-9-12(11-20)1-3-17(15)23-18-4-2-14(10-16(18)22)13-5-7-21-8-6-13/h1-10,22H
InChIKeyXNNKBVIHPSHNHS-UHFFFAOYSA-N
XLogP4.77
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile 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-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile?
The IUPAC name of 3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile (CID 25023971) is 3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile.
What is the SMILES notation for 3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile?
The canonical SMILES for 3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile is N#Cc1ccc(Oc2ccc(-c3ccncc3)cc2O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile?
The InChIKey is XNNKBVIHPSHNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2/c19-15-9-12(11-20)1-3-17(15)23-18-4-2-14(10-16(18)22)13-5-7-21-8-6-13/h1-10,22H.
What are the key properties of 3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile?
3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile has a molecular weight of 322.75 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile is sourced from PubChem (CID 25023971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).