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

C13H7Cl2N — CID 70699654

IUPAC2-chloro-4-(3-chlorophenyl)benzonitrile
SMILESN#Cc1ccc(-c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C13H7Cl2N/c14-12-3-1-2-9(6-12)10-4-5-11(8-16)13(15)7-10/h1-7H
InChIKeyUMRMTRVYHJFULT-UHFFFAOYSA-N
MW248.11 g/mol
LogP4.53
Rot. Bonds1

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

2-chloro-4-(3-chlorophenyl)benzonitrile (PubChem CID 70699654) has the molecular formula C13H7Cl2N and a molecular weight of 248.11 g/mol. Its IUPAC name is 2-chloro-4-(3-chlorophenyl)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(3-chlorophenyl)benzonitrile
PubChem CID70699654
Molecular FormulaC13H7Cl2N
Molecular Weight248.11 g/mol
Exact Mass247.00
IUPAC Name2-chloro-4-(3-chlorophenyl)benzonitrile
SMILESN#Cc1ccc(-c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C13H7Cl2N/c14-12-3-1-2-9(6-12)10-4-5-11(8-16)13(15)7-10/h1-7H
InChIKeyUMRMTRVYHJFULT-UHFFFAOYSA-N
XLogP4.53
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chlorophenyl)benzonitrile?
The IUPAC name of 2-chloro-4-(3-chlorophenyl)benzonitrile (CID 70699654) is 2-chloro-4-(3-chlorophenyl)benzonitrile.
What is the SMILES notation for 2-chloro-4-(3-chlorophenyl)benzonitrile?
The canonical SMILES for 2-chloro-4-(3-chlorophenyl)benzonitrile is N#Cc1ccc(-c2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chlorophenyl)benzonitrile?
The InChIKey is UMRMTRVYHJFULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N/c14-12-3-1-2-9(6-12)10-4-5-11(8-16)13(15)7-10/h1-7H.
What are the key properties of 2-chloro-4-(3-chlorophenyl)benzonitrile?
2-chloro-4-(3-chlorophenyl)benzonitrile has a molecular weight of 248.11 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chlorophenyl)benzonitrile is sourced from PubChem (CID 70699654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).