3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile

C12H7BrClN3 — CID 114287727

IUPAC3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H7BrClN3/c13-10-5-9(1-2-11(10)14)17-12-7-16-4-3-8(12)6-15/h1-5,7,17H
InChIKeyUKEZYYNZWOECNS-UHFFFAOYSA-N
MW308.57 g/mol
LogP4.11
Rot. Bonds2

About 3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile

3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile (PubChem CID 114287727) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile
PubChem CID114287727
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H7BrClN3/c13-10-5-9(1-2-11(10)14)17-12-7-16-4-3-8(12)6-15/h1-5,7,17H
InChIKeyUKEZYYNZWOECNS-UHFFFAOYSA-N
XLogP4.11
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile 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-bromo-4-chloroanilino)pyridine-4-carbonitrile
CID 113269414
4-(3-bromo-4-chloroanilino)-2,3-difluorobenzonitrile
CID 107933980
3-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 113269395
8-N-(3-bromo-4-chlorophenyl)isoquinoline-5,8-diamine
CID 103138705
2-bromo-4-(2-chloro-5-methylanilino)benzonitrile
CID 107635147
4-(2-bromo-5-chloroanilino)-2-chlorobenzonitrile
CID 81271577
4-[(3-bromo-4-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 104778505
3-bromo-N-(3-chloro-4-fluorophenyl)pyridin-4-amine
CID 104776772
4-(4-bromo-2,3-dichloroanilino)-2-chlorobenzonitrile
CID 107790842
N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine
CID 102824308
3-[(3-bromo-4-pyridinyl)amino]benzonitrile
CID 104777953
4-bromopyridine-3-carbonitrile
CID 22329522

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile (CID 114287727) is 3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile is N#Cc1ccncc1Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile?
The InChIKey is UKEZYYNZWOECNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-10-5-9(1-2-11(10)14)17-12-7-16-4-3-8(12)6-15/h1-5,7,17H.
What are the key properties of 3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile?
3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile has a molecular weight of 308.57 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-chloroanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 114287727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).