2-(2-bromo-5-chlorophenyl)propanenitrile

C9H7BrClN — CID 130134968

IUPAC2-(2-bromo-5-chlorophenyl)propanenitrile
SMILESCC(C#N)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H7BrClN/c1-6(5-12)8-4-7(11)2-3-9(8)10/h2-4,6H,1H3
InChIKeyPAZCXXIITJLHRL-UHFFFAOYSA-N
MW244.52 g/mol
LogP3.73
Rot. Bonds1

About 2-(2-bromo-5-chlorophenyl)propanenitrile

2-(2-bromo-5-chlorophenyl)propanenitrile (PubChem CID 130134968) has the molecular formula C9H7BrClN and a molecular weight of 244.52 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)propanenitrile.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)propanenitrile
PubChem CID130134968
Molecular FormulaC9H7BrClN
Molecular Weight244.52 g/mol
Exact Mass242.95
IUPAC Name2-(2-bromo-5-chlorophenyl)propanenitrile
SMILESCC(C#N)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H7BrClN/c1-6(5-12)8-4-7(11)2-3-9(8)10/h2-4,6H,1H3
InChIKeyPAZCXXIITJLHRL-UHFFFAOYSA-N
XLogP3.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.52
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromo-5-chlorophenyl)propanenitrile 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

2-[(2-bromo-5-chlorophenyl)-hydroxymethyl]butanenitrile
CID 79127090
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol
CID 130741211
2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile
CID 66157448
2-(8-bromo-3-chloroisoquinolin-5-yl)propanenitrile
CID 170554262
1-bromo-4-chloro-2-(dimethoxymethyl)benzene
CID 66704681
2-(5-chloro-2-ethyl-3-fluorophenyl)propanenitrile
CID 143515597
1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol
CID 83158968
(1R)-1-(2-bromo-5-chlorophenyl)-N-tert-butylsulfanylethanamine
CID 174962109
2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid
CID 66155862
3-(2-bromo-5-methylphenyl)-2-(2,4-dichlorophenyl)-3-oxopropanenitrile
CID 81110130
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)propanenitrile?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)propanenitrile (CID 130134968) is 2-(2-bromo-5-chlorophenyl)propanenitrile.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)propanenitrile?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)propanenitrile is CC(C#N)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)propanenitrile?
The InChIKey is PAZCXXIITJLHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN/c1-6(5-12)8-4-7(11)2-3-9(8)10/h2-4,6H,1H3.
What are the key properties of 2-(2-bromo-5-chlorophenyl)propanenitrile?
2-(2-bromo-5-chlorophenyl)propanenitrile has a molecular weight of 244.52 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)propanenitrile is sourced from PubChem (CID 130134968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).