3-bromo-5-chlorobenzonitrile

C7H3BrClN — CID 15965893

IUPAC3-bromo-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H3BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKeyDRKWKPSNVQVDKZ-UHFFFAOYSA-N
MW216.47 g/mol
LogP2.97
Rot. Bonds

About 3-bromo-5-chlorobenzonitrile

3-bromo-5-chlorobenzonitrile (PubChem CID 15965893) has the molecular formula C7H3BrClN and a molecular weight of 216.47 g/mol. Its IUPAC name is 3-bromo-5-chlorobenzonitrile.

Molecular Properties

Compound Name3-bromo-5-chlorobenzonitrile
PubChem CID15965893
Molecular FormulaC7H3BrClN
Molecular Weight216.47 g/mol
Exact Mass214.91
IUPAC Name3-bromo-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H3BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKeyDRKWKPSNVQVDKZ-UHFFFAOYSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-5-chlorobenzonitrile 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-Bromo-4-chlorobenzonitrile
CID 29939720
4-Bromo-2-chlorobenzonitrile
CID 7010420
4-Bromo-2,6-dichlorobenzonitrile
CID 13536153
(4-Bromo-3-chlorophenyl)acetonitrile
CID 59627726
2-Bromo-6-chlorobenzonitrile
CID 81054
3-Bromo-5-chlorotoluene
CID 10774638
3-Bromo-6-chloro-2-fluorobenzonitrile
CID 50997949
2-Bromo-4-chlorobenzonitrile
CID 23498524
2-Bromo-5-chlorobenzonitrile
CID 10330944
4-Bromo-3-chlorobenzonitrile
CID 16659395
1-Bromo-3-chloro-5-(trifluoromethyl)benzene
CID 20269855
5-Bromo-2-chlorobenzonitrile
CID 21525431

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chlorobenzonitrile?
The IUPAC name of 3-bromo-5-chlorobenzonitrile (CID 15965893) is 3-bromo-5-chlorobenzonitrile.
What is the SMILES notation for 3-bromo-5-chlorobenzonitrile?
The canonical SMILES for 3-bromo-5-chlorobenzonitrile is N#Cc1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chlorobenzonitrile?
The InChIKey is DRKWKPSNVQVDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H.
What are the key properties of 3-bromo-5-chlorobenzonitrile?
3-bromo-5-chlorobenzonitrile has a molecular weight of 216.47 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chlorobenzonitrile is sourced from PubChem (CID 15965893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).