CAS 1204298-75-8

6-(Difluoromethyl)isoquinoline

Description:

6-(Difluoromethyl)isoquinoline is a chemical compound characterized by its isoquinoline structure, which consists of a fused benzene and pyridine ring. The presence of a difluoromethyl group at the 6-position of the isoquinoline ring significantly influences its chemical properties and reactivity. This compound is typically a pale yellow to light brown solid, and its molecular formula reflects the incorporation of fluorine atoms, which can enhance its lipophilicity and biological activity. The difluoromethyl group is known to be a bioisostere for various functional groups, potentially impacting the compound's pharmacological profile. In terms of solubility, it may exhibit moderate solubility in organic solvents, while its solubility in water is likely limited due to the hydrophobic nature of the isoquinoline framework. Additionally, 6-(Difluoromethyl)isoquinoline may serve as a valuable intermediate in organic synthesis and medicinal chemistry, particularly in the development of pharmaceuticals targeting various biological pathways. Its unique structural features make it a compound of interest in both research and industrial applications.

Formula: C₁₀H₇F₂N

InChI: InChI=1S/C10H7F2N/c11-10(12)8-1-2-9-6-13-4-3-7(9)5-8/h1-6,10H

InChI key: InChIKey=VKHUTDGSHKOAGA-UHFFFAOYSA-N

SMILES: C(F)(F)C1=CC2=C(C=C1)C=NC=C2

Synonyms:

• 6-(Difluoromethyl)isoquinoline
• Isoquinoline, 6-(difluoromethyl)-