2-chloro-6-methylbenzonitrile

C8H6ClN — CID 23053

IUPAC2-chloro-6-methylbenzonitrile
SMILESCc1cccc(Cl)c1C#N
InChIInChI=1S/C8H6ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3
InChIKeyWQWQHJNUHQEGTN-UHFFFAOYSA-N
MW151.60 g/mol
LogP2.52
Rot. Bonds

About 2-chloro-6-methylbenzonitrile

2-chloro-6-methylbenzonitrile (PubChem CID 23053) has the molecular formula C8H6ClN and a molecular weight of 151.60 g/mol. Its IUPAC name is 2-chloro-6-methylbenzonitrile.

Molecular Properties

Compound Name2-chloro-6-methylbenzonitrile
PubChem CID23053
Molecular FormulaC8H6ClN
Molecular Weight151.60 g/mol
Exact Mass151.02
IUPAC Name2-chloro-6-methylbenzonitrile
SMILESCc1cccc(Cl)c1C#N
InChIInChI=1S/C8H6ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3
InChIKeyWQWQHJNUHQEGTN-UHFFFAOYSA-N
XLogP2.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.60
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Benzeneacetonitrile, alpha-butyl-4-chloro-
CID 11041961
Benzonitrile, m-chloro-
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2,4-Dichlorophenylacetonitrile
CID 80566
Benzonitrile, 2-(chloromethyl)-
CID 69152
m-Chlorophenylacetonitrile
CID 73722
alpha,3-Dichloro-2-methylbenzenepropanenitrile
CID 30603
(2,6-Dichlorophenyl)acetonitrile
CID 76678
2,5-Dichlorobenzonitrile
CID 89000

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylbenzonitrile?
The IUPAC name of 2-chloro-6-methylbenzonitrile (CID 23053) is 2-chloro-6-methylbenzonitrile.
What is the SMILES notation for 2-chloro-6-methylbenzonitrile?
The canonical SMILES for 2-chloro-6-methylbenzonitrile is Cc1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-methylbenzonitrile?
The InChIKey is WQWQHJNUHQEGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3.
What are the key properties of 2-chloro-6-methylbenzonitrile?
2-chloro-6-methylbenzonitrile has a molecular weight of 151.60 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylbenzonitrile is sourced from PubChem (CID 23053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).