2-(2,6-dichloro-4-methylphenyl)acetonitrile

C9H7Cl2N — CID 119013215

IUPAC2-(2,6-dichloro-4-methylphenyl)acetonitrile
SMILESCc1cc(Cl)c(CC#N)c(Cl)c1
InChIInChI=1S/C9H7Cl2N/c1-6-4-8(10)7(2-3-12)9(11)5-6/h4-5H,2H2,1H3
InChIKeyOUVRKAHQYNVMGH-UHFFFAOYSA-N
MW200.07 g/mol
LogP3.37
Rot. Bonds1

About 2-(2,6-dichloro-4-methylphenyl)acetonitrile

2-(2,6-dichloro-4-methylphenyl)acetonitrile (PubChem CID 119013215) has the molecular formula C9H7Cl2N and a molecular weight of 200.07 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2,6-dichloro-4-methylphenyl)acetonitrile
PubChem CID119013215
Molecular FormulaC9H7Cl2N
Molecular Weight200.07 g/mol
Exact Mass199.00
IUPAC Name2-(2,6-dichloro-4-methylphenyl)acetonitrile
SMILESCc1cc(Cl)c(CC#N)c(Cl)c1
InChIInChI=1S/C9H7Cl2N/c1-6-4-8(10)7(2-3-12)9(11)5-6/h4-5H,2H2,1H3
InChIKeyOUVRKAHQYNVMGH-UHFFFAOYSA-N
XLogP3.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.07
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698
2-[2,3-bis(cyanomethyl)-5-methylphenyl]acetonitrile
CID 170886230
2-(2-chloro-4,6-difluorophenyl)acetonitrile
CID 119020113
2-(2-chloro-6-methylphenyl)acetonitrile
CID 54246120
2-(4-chloro-6-methyl-1H-indol-3-yl)acetonitrile
CID 142964146
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84781042
5-amino-3-chloro-2-(cyanomethyl)benzonitrile
CID 171022129
2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile
CID 84773777
2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile
CID 171021297
1-(2-chloro-4,6-dimethylphenyl)-N-methylmethanamine
CID 84769264
2-(2-chloro-6-methoxy-3,5-dimethylphenyl)acetonitrile
CID 84780993
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84783001

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-methylphenyl)acetonitrile?
The IUPAC name of 2-(2,6-dichloro-4-methylphenyl)acetonitrile (CID 119013215) is 2-(2,6-dichloro-4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2,6-dichloro-4-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2,6-dichloro-4-methylphenyl)acetonitrile is Cc1cc(Cl)c(CC#N)c(Cl)c1.
What is the InChIKey of 2-(2,6-dichloro-4-methylphenyl)acetonitrile?
The InChIKey is OUVRKAHQYNVMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N/c1-6-4-8(10)7(2-3-12)9(11)5-6/h4-5H,2H2,1H3.
What are the key properties of 2-(2,6-dichloro-4-methylphenyl)acetonitrile?
2-(2,6-dichloro-4-methylphenyl)acetonitrile has a molecular weight of 200.07 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-methylphenyl)acetonitrile is sourced from PubChem (CID 119013215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).