CAS 89607-20-5

1-Methyl-3-nitro-1H-pyrrole-2-carboxylic acid

Description:

1-Methyl-3-nitro-1H-pyrrole-2-carboxylic acid is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. The presence of a methyl group at the 1-position and a nitro group at the 3-position contributes to its unique reactivity and properties. The carboxylic acid functional group at the 2-position enhances its acidity and solubility in polar solvents. This compound is typically a solid at room temperature and may exhibit moderate stability under standard conditions. Its nitro group can participate in electrophilic substitution reactions, while the carboxylic acid can engage in hydrogen bonding, influencing its interactions with other molecules. Due to its structural features, 1-Methyl-3-nitro-1H-pyrrole-2-carboxylic acid may find applications in organic synthesis, pharmaceuticals, and agrochemicals. However, handling should be done with care, as nitro compounds can be sensitive to heat and shock, and may pose environmental and health risks.

Formula: C₆H₆N₂O₄

InChI: InChI=1S/C6H6N2O4/c1-7-3-2-4(8(11)12)5(7)6(9)10/h2-3H,1H3,(H,9,10)

InChI key: InChIKey=IVKKDQRZYWIUIS-UHFFFAOYSA-N

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

Synonyms:

• 1-Methyl-3-nitro-1H-pyrrole-2-carboxylic acid
• 1H-Pyrrole-2-carboxylic acid, 1-methyl-3-nitro-