3-(2,3-dichlorophenyl)butanenitrile

C10H9Cl2N — CID 83639930

IUPAC3-(2,3-dichlorophenyl)butanenitrile
SMILESCC(CC#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2N/c1-7(5-6-13)8-3-2-4-9(11)10(8)12/h2-4,7H,5H2,1H3
InChIKeyJCXBDIGISRHIOB-UHFFFAOYSA-N
MW214.09 g/mol
LogP4.01
Rot. Bonds2

About 3-(2,3-dichlorophenyl)butanenitrile

3-(2,3-dichlorophenyl)butanenitrile (PubChem CID 83639930) has the molecular formula C10H9Cl2N and a molecular weight of 214.09 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)butanenitrile.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)butanenitrile
PubChem CID83639930
Molecular FormulaC10H9Cl2N
Molecular Weight214.09 g/mol
Exact Mass213.01
IUPAC Name3-(2,3-dichlorophenyl)butanenitrile
SMILESCC(CC#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2N/c1-7(5-6-13)8-3-2-4-9(11)10(8)12/h2-4,7H,5H2,1H3
InChIKeyJCXBDIGISRHIOB-UHFFFAOYSA-N
XLogP4.01
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2,3-dichlorophenyl)butanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(2,3-dichlorophenyl)butyl thiocyanate
CID 112717515
2-(2,3-dichlorophenyl)propanenitrile
CID 69268424
3-[2-(1-cyanopropan-2-yl)-3-methylphenyl]butanenitrile
CID 141159483
(3R)-3-(2-methylphenyl)butanenitrile
CID 135003945
2-(2,3-dichlorophenyl)butanenitrile
CID 89480048
5-(2,3-dichlorophenyl)hexan-2-amine
CID 83924701
(R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 167525979
3-(2,4-dichlorophenyl)butanenitrile;ethane
CID 145081047
5-(2,3-dichlorophenyl)hexane-2,3-diol
CID 83924753
4-[2-(2,3-dichlorophenyl)propyl]pyridine
CID 143835492
2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
CID 66071304
6-(2,3-dichlorophenyl)heptane-3,4-diol
CID 83924756

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)butanenitrile?
The IUPAC name of 3-(2,3-dichlorophenyl)butanenitrile (CID 83639930) is 3-(2,3-dichlorophenyl)butanenitrile.
What is the SMILES notation for 3-(2,3-dichlorophenyl)butanenitrile?
The canonical SMILES for 3-(2,3-dichlorophenyl)butanenitrile is CC(CC#N)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)butanenitrile?
The InChIKey is JCXBDIGISRHIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N/c1-7(5-6-13)8-3-2-4-9(11)10(8)12/h2-4,7H,5H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)butanenitrile?
3-(2,3-dichlorophenyl)butanenitrile has a molecular weight of 214.09 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)butanenitrile is sourced from PubChem (CID 83639930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).