5-(4-chlorophenoxy)pyridine-2-carbonitrile

C12H7ClN2O — CID 14823232

IUPAC5-(4-chlorophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H7ClN2O/c13-9-1-4-11(5-2-9)16-12-6-3-10(7-14)15-8-12/h1-6,8H
InChIKeyJLFPMINTEIAYBJ-UHFFFAOYSA-N
MW230.65 g/mol
LogP3.40
Rot. Bonds2

About 5-(4-chlorophenoxy)pyridine-2-carbonitrile

5-(4-chlorophenoxy)pyridine-2-carbonitrile (PubChem CID 14823232) has the molecular formula C12H7ClN2O and a molecular weight of 230.65 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenoxy)pyridine-2-carbonitrile
PubChem CID14823232
Molecular FormulaC12H7ClN2O
Molecular Weight230.65 g/mol
Exact Mass230.02
IUPAC Name5-(4-chlorophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H7ClN2O/c13-9-1-4-11(5-2-9)16-12-6-3-10(7-14)15-8-12/h1-6,8H
InChIKeyJLFPMINTEIAYBJ-UHFFFAOYSA-N
XLogP3.40
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenoxy)pyridine-2-carbonitrile 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 5-(4-chlorophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-chlorophenoxy)pyridine-2-carbonitrile (CID 14823232) is 5-(4-chlorophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-chlorophenoxy)pyridine-2-carbonitrile is N#Cc1ccc(Oc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chlorophenoxy)pyridine-2-carbonitrile?
The InChIKey is JLFPMINTEIAYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O/c13-9-1-4-11(5-2-9)16-12-6-3-10(7-14)15-8-12/h1-6,8H.
What are the key properties of 5-(4-chlorophenoxy)pyridine-2-carbonitrile?
5-(4-chlorophenoxy)pyridine-2-carbonitrile has a molecular weight of 230.65 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 14823232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).