CAS 920979-06-2

Ethyl 5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

Description:

Ethyl 5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate is a chemical compound characterized by its unique pyrrolopyridine structure, which incorporates a trifluoromethyl group and an ethyl ester functional group. This compound typically exhibits a molecular formula that reflects its complex structure, contributing to its potential applications in medicinal chemistry and material science. The presence of the trifluoromethyl group enhances lipophilicity and can influence biological activity, making it of interest in drug design. The pyrrolopyridine framework is known for its diverse pharmacological properties, including potential anti-inflammatory and anticancer activities. Additionally, the ethyl ester moiety can facilitate further chemical modifications, allowing for the synthesis of derivatives with tailored properties. The compound is likely to be a solid at room temperature, with specific solubility characteristics depending on the solvent used. Its reactivity profile may include typical reactions of esters and heterocycles, making it a versatile building block in organic synthesis. Safety data and handling precautions should be consulted due to the presence of fluorinated groups, which can pose environmental and health risks.

Formula: C₁₁H₉F₃N₂O₂

InChI: InChI=1S/C11H9F3N2O2/c1-2-18-10(17)8-5-7-6(15-8)3-4-9(16-7)11(12,13)14/h3-5,15H,2H2,1H3

InChI key: InChIKey=GEICUQXGPMXJLV-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC=2C(N1)=CC=C(C(F)(F)F)N2

Synonyms:

• 5-(Trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylic acid ethyl ester
• 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester
• Ethyl 5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
• Ethyl 5-trifluoromethylpyrrolo[3,2-b]pyridine-2-carboxylate