2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile

C12H7BrClN3 — CID 107620396

IUPAC2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C12H7BrClN3/c13-10-2-1-9(6-11(10)14)17-12-5-8(7-15)3-4-16-12/h1-6H,(H,16,17)
InChIKeyJXYXIBVZAMXFJK-UHFFFAOYSA-N
MW308.57 g/mol
LogP4.11
Rot. Bonds2

About 2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile

2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile (PubChem CID 107620396) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile
PubChem CID107620396
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C12H7BrClN3/c13-10-2-1-9(6-11(10)14)17-12-5-8(7-15)3-4-16-12/h1-6H,(H,16,17)
InChIKeyJXYXIBVZAMXFJK-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

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Related Compounds

2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
CID 114262113
4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine
CID 107617821
2-anilinopyridine-4-carbonitrile
CID 24696970
4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107617790
2-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 24702433
2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile
CID 24706091
4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
CID 103826035
2-chloro-4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]benzonitrile
CID 151724469
3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile
CID 107810668
2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile
CID 54965543
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
2-(quinolin-3-ylamino)pyridine-4-carbonitrile
CID 62783439

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile (CID 107620396) is 2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile is N#Cc1ccnc(Nc2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of 2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile?
The InChIKey is JXYXIBVZAMXFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-10-2-1-9(6-11(10)14)17-12-5-8(7-15)3-4-16-12/h1-6H,(H,16,17).
What are the key properties of 2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile?
2-(4-bromo-3-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 2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 107620396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).