CAS 81334-29-4

2-(4-Ethyl-4,5-dihydro-4-methyl-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid

Description:

2-(4-Ethyl-4,5-dihydro-4-methyl-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid, with CAS number 81334-29-4, is a chemical compound that features a complex structure combining both imidazole and pyridine functionalities. This compound typically exhibits characteristics such as being a solid at room temperature, with potential solubility in polar solvents due to the presence of carboxylic acid and nitrogen-containing heterocycles. The imidazole ring contributes to its potential biological activity, possibly acting as a ligand in coordination chemistry or as a pharmacophore in medicinal chemistry. The ethyl and methyl substituents on the imidazole ring can influence its lipophilicity and overall reactivity. Additionally, the presence of the pyridinecarboxylic acid moiety may impart acidic properties, allowing for protonation and deprotonation under varying pH conditions. Overall, this compound's unique structure suggests potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis.

Formula: C₁₂H₁₃N₃O₃

InChI: InChI=1S/C12H13N3O3/c1-3-12(2)11(18)14-9(15-12)8-7(10(16)17)5-4-6-13-8/h4-6H,3H2,1-2H3,(H,16,17)(H,14,15,18)

InChI key: InChIKey=BXOKENWBKGSFEL-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(N=CC=C1)C=2NC(CC)(C)C(=O)N2

Synonyms:

• 2-(4-Ethyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid
• 2-(4-Ethyl-4,5-dihydro-4-methyl-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid
• 3-Pyridinecarboxylic acid, 2-(4-ethyl-4,5-dihydro-4-methyl-5-oxo-1H-imidazol-2-yl)-