CAS 1261365-53-0

5-Fluoro-3-iodo-2-pyridinyl 1,1,1-trifluoromethanesulfonate

Description:

5-Fluoro-3-iodo-2-pyridinyl 1,1,1-trifluoromethanesulfonate is a chemical compound characterized by its unique structure, which includes a pyridine ring substituted with fluorine and iodine atoms, as well as a trifluoromethanesulfonate group. This compound is typically used in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its reactivity and ability to serve as a leaving group in nucleophilic substitution reactions. The presence of multiple fluorine atoms enhances its stability and lipophilicity, making it suitable for various applications in medicinal chemistry. Additionally, the iodine atom can facilitate further functionalization, allowing for the introduction of diverse chemical groups. Its CAS number, 1261365-53-0, is a unique identifier that aids in the cataloging and regulation of this substance in chemical databases. As with many halogenated compounds, safety precautions should be observed when handling this substance, as it may pose health and environmental risks.

Formula: C₆H₂F₄INO₃S

InChI: InChI=1S/C6H2F4INO3S/c7-3-1-4(11)5(12-2-3)15-16(13,14)6(8,9)10/h1-2H

InChI key: InChIKey=FGMROSXFLPQCML-UHFFFAOYSA-N

SMILES: O(S(C(F)(F)F)(=O)=O)C1=C(I)C=C(F)C=N1

Synonyms:

• 5-Fluoro-3-iodo-2-pyridinyl 1,1,1-trifluoromethanesulfonate
• Methanesulfonic acid, 1,1,1-trifluoro-, 5-fluoro-3-iodo-2-pyridinyl ester
• 5-Fluoro-3-iodopyridin-2-yl trifluoromethanesulfonate