2-chloro-3-methyl-6-phenylbenzonitrile

C14H10ClN — CID 170991765

IUPAC2-chloro-3-methyl-6-phenylbenzonitrile
SMILESCc1ccc(-c2ccccc2)c(C#N)c1Cl
InChIInChI=1S/C14H10ClN/c1-10-7-8-12(13(9-16)14(10)15)11-5-3-2-4-6-11/h2-8H,1H3
InChIKeyAHVVRIZUTIMLBW-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.19
Rot. Bonds1

About 2-chloro-3-methyl-6-phenylbenzonitrile

2-chloro-3-methyl-6-phenylbenzonitrile (PubChem CID 170991765) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-3-methyl-6-phenylbenzonitrile.

Molecular Properties

Compound Name2-chloro-3-methyl-6-phenylbenzonitrile
PubChem CID170991765
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name2-chloro-3-methyl-6-phenylbenzonitrile
SMILESCc1ccc(-c2ccccc2)c(C#N)c1Cl
InChIInChI=1S/C14H10ClN/c1-10-7-8-12(13(9-16)14(10)15)11-5-3-2-4-6-11/h2-8H,1H3
InChIKeyAHVVRIZUTIMLBW-UHFFFAOYSA-N
XLogP4.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-3-methyl-6-phenylbenzonitrile 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 2-chloro-3-methyl-6-phenylbenzonitrile?
The IUPAC name of 2-chloro-3-methyl-6-phenylbenzonitrile (CID 170991765) is 2-chloro-3-methyl-6-phenylbenzonitrile.
What is the SMILES notation for 2-chloro-3-methyl-6-phenylbenzonitrile?
The canonical SMILES for 2-chloro-3-methyl-6-phenylbenzonitrile is Cc1ccc(-c2ccccc2)c(C#N)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-6-phenylbenzonitrile?
The InChIKey is AHVVRIZUTIMLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c1-10-7-8-12(13(9-16)14(10)15)11-5-3-2-4-6-11/h2-8H,1H3.
What are the key properties of 2-chloro-3-methyl-6-phenylbenzonitrile?
2-chloro-3-methyl-6-phenylbenzonitrile has a molecular weight of 227.69 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-6-phenylbenzonitrile is sourced from PubChem (CID 170991765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).