2-(2-chlorophenyl)benzonitrile

C13H8ClN — CID 1392815

IUPAC2-(2-chlorophenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1Cl
InChIInChI=1S/C13H8ClN/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-8H
InChIKeyZXDYQXRJKNAQJS-UHFFFAOYSA-N
MW213.67 g/mol
LogP3.88
Rot. Bonds1

About 2-(2-chlorophenyl)benzonitrile

2-(2-chlorophenyl)benzonitrile (PubChem CID 1392815) has the molecular formula C13H8ClN and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-(2-chlorophenyl)benzonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)benzonitrile
PubChem CID1392815
Molecular FormulaC13H8ClN
Molecular Weight213.67 g/mol
Exact Mass213.03
IUPAC Name2-(2-chlorophenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1Cl
InChIInChI=1S/C13H8ClN/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-8H
InChIKeyZXDYQXRJKNAQJS-UHFFFAOYSA-N
XLogP3.88
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)benzonitrile?
The IUPAC name of 2-(2-chlorophenyl)benzonitrile (CID 1392815) is 2-(2-chlorophenyl)benzonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)benzonitrile?
The canonical SMILES for 2-(2-chlorophenyl)benzonitrile is N#Cc1ccccc1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)benzonitrile?
The InChIKey is ZXDYQXRJKNAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-8H.
What are the key properties of 2-(2-chlorophenyl)benzonitrile?
2-(2-chlorophenyl)benzonitrile has a molecular weight of 213.67 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)benzonitrile is sourced from PubChem (CID 1392815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).