CAS 7126-45-6

1H-Pyrrole-2-carboxylic acid, 3-cyano-1-methyl-

Description:

1H-Pyrrole-2-carboxylic acid, 3-cyano-1-methyl- is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing one nitrogen atom. This compound features a carboxylic acid functional group (-COOH) at the 2-position and a cyano group (-CN) at the 3-position, along with a methyl group (-CH3) at the 1-position of the pyrrole ring. The presence of these functional groups contributes to its reactivity and potential applications in various chemical syntheses. It is typically a solid at room temperature and may exhibit solubility in polar solvents due to the carboxylic acid group. The compound may be of interest in medicinal chemistry and materials science, particularly in the development of pharmaceuticals or agrochemicals. As with many nitrogen-containing heterocycles, it may also exhibit interesting electronic properties, making it a candidate for further research in organic electronics or as a building block in complex organic molecules. Safety data should be consulted for handling and usage, as with all chemical substances.

Formula: C₇H₆N₂O₂

InChI: InChI=1S/C7H6N2O2/c1-9-3-2-5(4-8)6(9)7(10)11/h2-3H,1H3,(H,10,11)

InChI key: InChIKey=FAUNUNUEPUJUJF-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C#N)C=CN1C

Synonyms:

• 3-Cyano-1-methyl-1H-pyrrole-2-carboxylic acid
• Pyrrole-2-carboxylic acid, 3-cyano-1-methyl-
• 1H-Pyrrole-2-carboxylic acid, 3-cyano-1-methyl-
• 3-Cyano-1-methyl-pyrrole-2-carboxylic acid