2-(2-bromo-4-chloroanilino)benzonitrile

C13H8BrClN2 — CID 81271318

IUPAC2-(2-bromo-4-chloroanilino)benzonitrile
SMILESN#Cc1ccccc1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H8BrClN2/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7,17H
InChIKeyYVKAIKHCLZKRSR-UHFFFAOYSA-N
MW307.58 g/mol
LogP4.72
Rot. Bonds2

About 2-(2-bromo-4-chloroanilino)benzonitrile

2-(2-bromo-4-chloroanilino)benzonitrile (PubChem CID 81271318) has the molecular formula C13H8BrClN2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 2-(2-bromo-4-chloroanilino)benzonitrile.

Molecular Properties

Compound Name2-(2-bromo-4-chloroanilino)benzonitrile
PubChem CID81271318
Molecular FormulaC13H8BrClN2
Molecular Weight307.58 g/mol
Exact Mass305.96
IUPAC Name2-(2-bromo-4-chloroanilino)benzonitrile
SMILESN#Cc1ccccc1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H8BrClN2/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7,17H
InChIKeyYVKAIKHCLZKRSR-UHFFFAOYSA-N
XLogP4.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)benzonitrile
CID 28602037
3-(2-bromo-4-chloroanilino)pyridine-4-carbonitrile
CID 113269414
2-(2-amino-5-chloroanilino)benzonitrile
CID 113315594
2-(4-amino-2-bromoanilino)-4-chlorobenzonitrile
CID 64914992
5-chloro-2-(2-cyanoanilino)benzoic acid
CID 63538465
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
2-amino-5-(2-bromo-4-chloroanilino)benzonitrile
CID 115499677
2-(2-bromoanilino)-5-fluorobenzonitrile
CID 55232513
5-chloro-2-(2-propan-2-ylanilino)benzonitrile
CID 63512062
2-(2-amino-4-bromo-5-fluoroanilino)benzonitrile
CID 66110305
5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
CID 63516498
2-(2-bromo-4-chloroanilino)benzoic acid
CID 81271359

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloroanilino)benzonitrile?
The IUPAC name of 2-(2-bromo-4-chloroanilino)benzonitrile (CID 81271318) is 2-(2-bromo-4-chloroanilino)benzonitrile.
What is the SMILES notation for 2-(2-bromo-4-chloroanilino)benzonitrile?
The canonical SMILES for 2-(2-bromo-4-chloroanilino)benzonitrile is N#Cc1ccccc1Nc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chloroanilino)benzonitrile?
The InChIKey is YVKAIKHCLZKRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7,17H.
What are the key properties of 2-(2-bromo-4-chloroanilino)benzonitrile?
2-(2-bromo-4-chloroanilino)benzonitrile has a molecular weight of 307.58 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloroanilino)benzonitrile is sourced from PubChem (CID 81271318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).