CAS 891785-25-4

6-Bromo-1-fluoroisoquinoline

Description:

6-Bromo-1-fluoroisoquinoline is a heterocyclic organic compound characterized by the presence of a bromine atom and a fluorine atom attached to an isoquinoline structure. Isoquinoline itself is a bicyclic compound derived from quinoline, featuring a nitrogen atom within its aromatic ring system. The presence of the bromine and fluorine substituents can significantly influence the compound's chemical reactivity, polarity, and potential applications in medicinal chemistry. Typically, such halogenated compounds exhibit enhanced lipophilicity, which can affect their biological activity and interaction with various biological targets. Additionally, the specific positioning of the bromine and fluorine atoms can lead to unique electronic properties, making them valuable in the development of pharmaceuticals and agrochemicals. The compound's molecular structure allows for potential applications in synthesis and as intermediates in organic reactions. As with many halogenated compounds, considerations regarding environmental impact and safety are essential during handling and application.

Formula: C₉H₅BrFN

InChI: InChI=1S/C9H5BrFN/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H

InChI key: InChIKey=BNZRFLMNPXIRMT-UHFFFAOYSA-N

SMILES: FC=1C2=C(C=C(Br)C=C2)C=CN1

Synonyms:

• Isoquinoline, 6-bromo-1-fluoro-
• 6-Bromo-1-fluoroisoquinoline