2-(2-bromoanilino)benzonitrile

C13H9BrN2 — CID 28602037

IUPAC2-(2-bromoanilino)benzonitrile
SMILESN#Cc1ccccc1Nc1ccccc1Br
InChIInChI=1S/C13H9BrN2/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8,16H
InChIKeyODCDWVWJLRPASS-UHFFFAOYSA-N
MW273.13 g/mol
LogP4.06
Rot. Bonds2

About 2-(2-bromoanilino)benzonitrile

2-(2-bromoanilino)benzonitrile (PubChem CID 28602037) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-bromoanilino)benzonitrile.

Molecular Properties

Compound Name2-(2-bromoanilino)benzonitrile
PubChem CID28602037
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name2-(2-bromoanilino)benzonitrile
SMILESN#Cc1ccccc1Nc1ccccc1Br
InChIInChI=1S/C13H9BrN2/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8,16H
InChIKeyODCDWVWJLRPASS-UHFFFAOYSA-N
XLogP4.06
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromoanilino)benzonitrile 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-bromoanilino)-5-fluorobenzonitrile
CID 55232513
2-(2-bromo-4-chloroanilino)benzonitrile
CID 81271318
2-bromo-6-(2-bromoanilino)benzonitrile
CID 114880504
2-(2-bromoanilino)-3-methylbenzonitrile
CID 107106356
2-bromo-4-(2-bromoanilino)benzonitrile
CID 107275827
2-(2-amino-4-bromo-5-fluoroanilino)benzonitrile
CID 66110305
2-(3-bromo-4-methylanilino)benzonitrile
CID 63512186
2-[(5-bromopyrimidin-2-yl)amino]benzonitrile
CID 63874554
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109164779
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 109130126
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)benzonitrile?
The IUPAC name of 2-(2-bromoanilino)benzonitrile (CID 28602037) is 2-(2-bromoanilino)benzonitrile.
What is the SMILES notation for 2-(2-bromoanilino)benzonitrile?
The canonical SMILES for 2-(2-bromoanilino)benzonitrile is N#Cc1ccccc1Nc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)benzonitrile?
The InChIKey is ODCDWVWJLRPASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8,16H.
What are the key properties of 2-(2-bromoanilino)benzonitrile?
2-(2-bromoanilino)benzonitrile has a molecular weight of 273.13 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)benzonitrile is sourced from PubChem (CID 28602037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).