CAS 1014613-47-8

B-[2-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]boronic acid

Description:

B-[2-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]boronic acid is a boronic acid derivative characterized by its unique structural features, including a pyrrolo[2,3-b]pyridine core and a trifluoromethyl group. This compound typically exhibits properties associated with boronic acids, such as the ability to form reversible covalent bonds with diols, making it useful in various applications, including organic synthesis and medicinal chemistry. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity. Additionally, the compound's boronic acid functionality allows it to participate in Suzuki-Miyaura cross-coupling reactions, which are valuable in the formation of carbon-carbon bonds. Its potential applications extend to drug discovery and development, particularly in the design of inhibitors targeting specific enzymes or receptors. Overall, this compound is of interest in both synthetic and pharmaceutical chemistry due to its distinctive structure and reactivity.

Formula: C₈H₆BF₃N₂O₂

InChI: InChI=1S/C8H6BF3N2O2/c10-8(11,12)6-3-4-5(9(15)16)1-2-13-7(4)14-6/h1-3,15-16H,(H,13,14)

InChI key: InChIKey=BTUZSFNLLAAGQP-UHFFFAOYSA-N

SMILES: B(O)(O)C1=C2C(NC(C(F)(F)F)=C2)=NC=C1

Synonyms:

• Boronic acid, B-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-
• [2-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]boronic acid
• B-[2-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]boronic acid