2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile

C11H10ClNO — CID 121006133

IUPAC2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile
SMILESCC1(CC#N)Cc2cc(Cl)ccc2O1
InChIInChI=1S/C11H10ClNO/c1-11(4-5-13)7-8-6-9(12)2-3-10(8)14-11/h2-3,6H,4,7H2,1H3
InChIKeyBCLNXKFIMAGDMZ-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.95
Rot. Bonds1

About 2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile

2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile (PubChem CID 121006133) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile
PubChem CID121006133
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile
SMILESCC1(CC#N)Cc2cc(Cl)ccc2O1
InChIInChI=1S/C11H10ClNO/c1-11(4-5-13)7-8-6-9(12)2-3-10(8)14-11/h2-3,6H,4,7H2,1H3
InChIKeyBCLNXKFIMAGDMZ-UHFFFAOYSA-N
XLogP2.95
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile?
The IUPAC name of 2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile (CID 121006133) is 2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile?
The canonical SMILES for 2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile is CC1(CC#N)Cc2cc(Cl)ccc2O1.
What is the InChIKey of 2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile?
The InChIKey is BCLNXKFIMAGDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-11(4-5-13)7-8-6-9(12)2-3-10(8)14-11/h2-3,6H,4,7H2,1H3.
What are the key properties of 2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile?
2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile has a molecular weight of 207.66 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-3H-1-benzofuran-2-yl)acetonitrile is sourced from PubChem (CID 121006133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).