CAS 1196157-55-7

1-Methyl-4-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid

Description:

1-Methyl-4-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid is a heterocyclic organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic ring containing nitrogen. The presence of a methyl group at the 1-position and a trifluoromethyl group at the 4-position significantly influences its chemical properties, including its reactivity and polarity. The carboxylic acid functional group at the 2-position contributes to its acidity and potential for hydrogen bonding, making it soluble in polar solvents. This compound is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential biological activity and utility in synthetic pathways. Its trifluoromethyl group enhances lipophilicity and metabolic stability, which can be advantageous in drug design. Additionally, the compound's unique structure may impart specific interactions with biological targets, making it a candidate for further research in pharmacology and material science. Safety data and handling precautions should be observed, as with any chemical substance, to mitigate risks associated with its use.

Formula: C₇H₆F₃NO₂

InChI: InChI=1S/C7H6F3NO2/c1-11-3-4(7(8,9)10)2-5(11)6(12)13/h2-3H,1H3,(H,12,13)

InChI key: InChIKey=COPKUWWKWATCIU-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C=C(C(O)=O)N(C)C1

Synonyms:

• 1H-Pyrrole-2-carboxylic acid, 1-methyl-4-(trifluoromethyl)-
• 1-Methyl-4-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid