CAS 1261365-57-4

Methyl 5-fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylate

Description:

Methyl 5-fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylate is a heterocyclic organic compound characterized by its complex pyrrolopyridine structure, which incorporates both fluorine and iodine substituents. This compound features a carboxylate functional group, contributing to its potential reactivity and solubility properties. The presence of the fluorine atom often enhances the compound's lipophilicity and metabolic stability, while the iodine atom can influence its electronic properties and reactivity, making it of interest in medicinal chemistry and drug design. The methyl ester group indicates that it can undergo hydrolysis to yield the corresponding carboxylic acid, which may exhibit different biological activities. Overall, this compound's unique structural features suggest potential applications in pharmaceuticals, particularly in the development of targeted therapies or as intermediates in synthetic pathways. Its specific characteristics, including melting point, boiling point, and solubility, would require empirical measurement or literature reference for precise values.

Formula: C₉H₆FIN₂O₂

InChI: InChI=1S/C9H6FIN2O2/c1-15-9(14)5-4-2-3-12-8(4)13-7(11)6(5)10/h2-3H,1H3,(H,12,13)

InChI key: InChIKey=XTUBBAZQFJOUEB-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C2C(=NC(I)=C1F)NC=C2

Synonyms:

• 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 5-fluoro-6-iodo-, methyl ester
• Methyl 5-fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylate