4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile

C14H9Cl2N — CID 66252389

IUPAC4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile
SMILESCc1cccc(Cl)c1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C14H9Cl2N/c1-9-3-2-4-13(16)14(9)12-7-11(15)6-5-10(12)8-17/h2-7H,1H3
InChIKeySEFLVEQLRBMFTE-UHFFFAOYSA-N
MW262.14 g/mol
LogP4.84
Rot. Bonds1

About 4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile

4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile (PubChem CID 66252389) has the molecular formula C14H9Cl2N and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile
PubChem CID66252389
Molecular FormulaC14H9Cl2N
Molecular Weight262.14 g/mol
Exact Mass261.01
IUPAC Name4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile
SMILESCc1cccc(Cl)c1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C14H9Cl2N/c1-9-3-2-4-13(16)14(9)12-7-11(15)6-5-10(12)8-17/h2-7H,1H3
InChIKeySEFLVEQLRBMFTE-UHFFFAOYSA-N
XLogP4.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene
CID 66252384
1-bromo-4-chloro-2-(2-chloro-6-methylphenyl)benzene
CID 81275772
3-chloro-2-(2,3,5-trichlorophenyl)benzonitrile
CID 134630536
2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
CID 62493170
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378
1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
CID 66251613
1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene
CID 66251614
5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
CID 63516498
1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane
CID 156797432
2-(5-chloro-2-methylanilino)-3-methylbenzonitrile
CID 107106403
5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile
CID 63510537
1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene
CID 66253733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile?
The IUPAC name of 4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile (CID 66252389) is 4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile.
What is the SMILES notation for 4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile?
The canonical SMILES for 4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile is Cc1cccc(Cl)c1-c1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile?
The InChIKey is SEFLVEQLRBMFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N/c1-9-3-2-4-13(16)14(9)12-7-11(15)6-5-10(12)8-17/h2-7H,1H3.
What are the key properties of 4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile?
4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile has a molecular weight of 262.14 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile is sourced from PubChem (CID 66252389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).