6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile

C13H10BrN3 — CID 24697637

IUPAC6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile
SMILESCc1cc(Br)ccc1Nc1ccc(C#N)cn1
InChIInChI=1S/C13H10BrN3/c1-9-6-11(14)3-4-12(9)17-13-5-2-10(7-15)8-16-13/h2-6,8H,1H3,(H,16,17)
InChIKeyIUPYGAQQVCTWBG-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.77
Rot. Bonds2

About 6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile

6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile (PubChem CID 24697637) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile
PubChem CID24697637
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile
SMILESCc1cc(Br)ccc1Nc1ccc(C#N)cn1
InChIInChI=1S/C13H10BrN3/c1-9-6-11(14)3-4-12(9)17-13-5-2-10(7-15)8-16-13/h2-6,8H,1H3,(H,16,17)
InChIKeyIUPYGAQQVCTWBG-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

6-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54953901
6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile
CID 114260197
3-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112867017
6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane
CID 143918294
N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
CID 4764031
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine
CID 113021518
4-(4-bromo-2-methylanilino)-3,5-difluorobenzonitrile
CID 81283533
6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
CID 82120847
N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416284
4-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003619
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile (CID 24697637) is 6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile is Cc1cc(Br)ccc1Nc1ccc(C#N)cn1.
What is the InChIKey of 6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile?
The InChIKey is IUPYGAQQVCTWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-6-11(14)3-4-12(9)17-13-5-2-10(7-15)8-16-13/h2-6,8H,1H3,(H,16,17).
What are the key properties of 6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile?
6-(4-bromo-2-methylanilino)pyridine-3-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 6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 24697637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).