2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid

C15H12BrN3O2 — CID 107791200

IUPAC2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2ccc(C#N)cc2Br)n1
InChIInChI=1S/C15H12BrN3O2/c1-8-5-9(2)18-14(13(8)15(20)21)19-12-4-3-10(7-17)6-11(12)16/h3-6H,1-2H3,(H,18,19)(H,20,21)
InChIKeyHTEYSQHERMHGET-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.77
Rot. Bonds3

About 2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid

2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 107791200) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID107791200
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2ccc(C#N)cc2Br)n1
InChIInChI=1S/C15H12BrN3O2/c1-8-5-9(2)18-14(13(8)15(20)21)19-12-4-3-10(7-17)6-11(12)16/h3-6H,1-2H3,(H,18,19)(H,20,21)
InChIKeyHTEYSQHERMHGET-UHFFFAOYSA-N
XLogP3.77
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid 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

2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63537312
2-(4-bromo-2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82695182
2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003027
5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
CID 107793033
3-bromo-4-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107795234
methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate
CID 107793040
2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107636152
N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 107793713
3-bromo-4-[(6-methyl-3-pyridinyl)amino]benzonitrile
CID 82798416
3-bromo-4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107795220
2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107528823
N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 107793985

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid (CID 107791200) is 2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Nc2ccc(C#N)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is HTEYSQHERMHGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-8-5-9(2)18-14(13(8)15(20)21)19-12-4-3-10(7-17)6-11(12)16/h3-6H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 346.18 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 107791200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).