2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile

C12H6Br2ClN3 — CID 83073282

IUPAC2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C12H6Br2ClN3/c13-8-1-2-9(14)10(5-8)17-12-4-7(6-16)3-11(15)18-12/h1-5H,(H,17,18)
InChIKeyCUDNEWUMHBTGFK-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.88
Rot. Bonds2

About 2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile

2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile (PubChem CID 83073282) has the molecular formula C12H6Br2ClN3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile
PubChem CID83073282
Molecular FormulaC12H6Br2ClN3
Molecular Weight387.46 g/mol
Exact Mass384.86
IUPAC Name2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C12H6Br2ClN3/c13-8-1-2-9(14)10(5-8)17-12-4-7(6-16)3-11(15)18-12/h1-5H,(H,17,18)
InChIKeyCUDNEWUMHBTGFK-UHFFFAOYSA-N
XLogP4.88
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-(2,5-dibromoanilino)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

6-chloro-N-(2,5-dibromophenyl)pyridin-2-amine
CID 63588218
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107800073
2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile
CID 83077417
2-chloro-6-(4-methylanilino)pyridine-4-carbonitrile
CID 83073400
3-bromo-4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]benzonitrile
CID 107792440
4-bromo-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107800105
2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 83077396
4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile
CID 114047759
2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile
CID 83072667
2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile
CID 83077729
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
CID 83072936

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile (CID 83073282) is 2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(Nc2cc(Br)ccc2Br)c1.
What is the InChIKey of 2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile?
The InChIKey is CUDNEWUMHBTGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2ClN3/c13-8-1-2-9(14)10(5-8)17-12-4-7(6-16)3-11(15)18-12/h1-5H,(H,17,18).
What are the key properties of 2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile?
2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile has a molecular weight of 387.46 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 83073282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).