2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile

C13H10BrN3 — CID 24706091

IUPAC2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile
SMILESCc1ccc(Nc2cc(C#N)ccn2)c(Br)c1
InChIInChI=1S/C13H10BrN3/c1-9-2-3-12(11(14)6-9)17-13-7-10(8-15)4-5-16-13/h2-7H,1H3,(H,16,17)
InChIKeyYRLSJHCCWOFOAW-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.77
Rot. Bonds2

About 2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile

2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile (PubChem CID 24706091) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile
PubChem CID24706091
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile
SMILESCc1ccc(Nc2cc(C#N)ccn2)c(Br)c1
InChIInChI=1S/C13H10BrN3/c1-9-2-3-12(11(14)6-9)17-13-7-10(8-15)4-5-16-13/h2-7H,1H3,(H,16,17)
InChIKeyYRLSJHCCWOFOAW-UHFFFAOYSA-N
XLogP3.77
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 28968597
2-(2-bromo-4-methylanilino)-3-chloropyridine-4-carbonitrile
CID 107056680
3-bromo-4-[(2-methyl-3-pyridinyl)amino]benzonitrile
CID 82797410
3-bromo-4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107795220
2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
CID 114262113
2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile
CID 114252744
4-N-(2-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80768591
6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80767793
4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80768500
2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 79766787
6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine
CID 112863835
2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile
CID 107620396

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile (CID 24706091) is 2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile is Cc1ccc(Nc2cc(C#N)ccn2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile?
The InChIKey is YRLSJHCCWOFOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-2-3-12(11(14)6-9)17-13-7-10(8-15)4-5-16-13/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile?
2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile has a molecular weight of 288.15 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 24706091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).