4-chloro-3-(2-methylphenyl)benzonitrile

C14H10ClN — CID 172914911

IUPAC4-chloro-3-(2-methylphenyl)benzonitrile
SMILESCc1ccccc1-c1cc(C#N)ccc1Cl
InChIInChI=1S/C14H10ClN/c1-10-4-2-3-5-12(10)13-8-11(9-16)6-7-14(13)15/h2-8H,1H3
InChIKeyLTEHCCYRKYOVGN-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.19
Rot. Bonds1

About 4-chloro-3-(2-methylphenyl)benzonitrile

4-chloro-3-(2-methylphenyl)benzonitrile (PubChem CID 172914911) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-3-(2-methylphenyl)benzonitrile.

Molecular Properties

Compound Name4-chloro-3-(2-methylphenyl)benzonitrile
PubChem CID172914911
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name4-chloro-3-(2-methylphenyl)benzonitrile
SMILESCc1ccccc1-c1cc(C#N)ccc1Cl
InChIInChI=1S/C14H10ClN/c1-10-4-2-3-5-12(10)13-8-11(9-16)6-7-14(13)15/h2-8H,1H3
InChIKeyLTEHCCYRKYOVGN-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-methylphenyl)benzonitrile?
The IUPAC name of 4-chloro-3-(2-methylphenyl)benzonitrile (CID 172914911) is 4-chloro-3-(2-methylphenyl)benzonitrile.
What is the SMILES notation for 4-chloro-3-(2-methylphenyl)benzonitrile?
The canonical SMILES for 4-chloro-3-(2-methylphenyl)benzonitrile is Cc1ccccc1-c1cc(C#N)ccc1Cl.
What is the InChIKey of 4-chloro-3-(2-methylphenyl)benzonitrile?
The InChIKey is LTEHCCYRKYOVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c1-10-4-2-3-5-12(10)13-8-11(9-16)6-7-14(13)15/h2-8H,1H3.
What are the key properties of 4-chloro-3-(2-methylphenyl)benzonitrile?
4-chloro-3-(2-methylphenyl)benzonitrile 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 4-chloro-3-(2-methylphenyl)benzonitrile is sourced from PubChem (CID 172914911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).