CAS 90345-47-4

4-Cyano-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

Description:

4-Cyano-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features a cyano group (-CN) and a carboxylic acid group (-COOH) attached to the pyrrole ring, along with two methyl groups at the 3 and 5 positions. The presence of the cyano group contributes to its potential reactivity, making it useful in various synthetic applications. The carboxylic acid functionality provides acidic properties, allowing for potential interactions in biochemical systems or as a precursor in organic synthesis. Additionally, the methyl substituents can influence the compound's solubility and stability. Overall, 4-Cyano-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is of interest in fields such as medicinal chemistry and materials science due to its unique structural features and potential applications in the development of pharmaceuticals or agrochemicals.

Formula: C₈H₈N₂O₂

InChI: InChI=1S/C8H8N2O2/c1-4-6(3-9)5(2)10-7(4)8(11)12/h10H,1-2H3,(H,11,12)

InChI key: InChIKey=MXRLDGFCXONJMS-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C)C(C#N)=C(C)N1

Synonyms:

• 4-Cyano-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
• Pyrrole-2-carboxylic acid, 4-cyano-3,5-dimethyl-
• 1H-Pyrrole-2-carboxylic acid, 4-cyano-3,5-dimethyl-