CAS 1204475-74-0

3-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

Description:

3-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is a heterocyclic compound characterized by its unique pyrrolopyridine structure, which incorporates a trifluoromethyl group and a carboxylic acid functional group. The presence of the trifluoromethyl group significantly influences its chemical properties, enhancing lipophilicity and potentially affecting its biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its carboxylic acid functionality allows for potential hydrogen bonding and reactivity in various chemical reactions, making it a candidate for applications in medicinal chemistry and material science. The compound's structure suggests potential interactions with biological targets, which may be explored in drug discovery contexts. Additionally, the presence of fluorine atoms can impart unique electronic properties, making it of interest in the development of pharmaceuticals and agrochemicals. Overall, this compound represents a valuable scaffold for further research and development in various chemical and biological applications.

Formula: C₉H₅F₃N₂O₂

InChI: InChI=1S/C9H5F3N2O2/c10-9(11,12)5-4-2-1-3-13-7(4)14-6(5)8(15)16/h1-3H,(H,13,14)(H,15,16)

InChI key: InChIKey=XTDOHBXVXORGJQ-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C=2C(NC1C(O)=O)=NC=CC2

Synonyms:

• 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-(trifluoromethyl)-
• 3-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid