CAS 1956334-35-2

Isoquinoline, 6-chloro-5-fluoro-1,2,3,4-tetrahydro-, hydrochloride (1:1)

Description:

Isoquinoline, 6-chloro-5-fluoro-1,2,3,4-tetrahydro-, hydrochloride (1:1) is a chemical compound characterized by its isoquinoline structure, which is a bicyclic aromatic compound derived from quinoline. This specific derivative features a chlorine atom at the 6-position and a fluorine atom at the 5-position of the tetrahydroisoquinoline framework, indicating the presence of halogen substituents that can influence its reactivity and biological activity. The hydrochloride form suggests that the compound is a salt, which typically enhances its solubility in water and may affect its pharmacokinetic properties. The tetrahydro configuration indicates that the compound has undergone partial hydrogenation, resulting in a saturated ring system that can exhibit different chemical behavior compared to its fully aromatic counterparts. Such compounds are often of interest in medicinal chemistry due to their potential therapeutic applications, including as intermediates in drug synthesis or as active pharmaceutical ingredients. The presence of halogens can also impart unique electronic properties, making them suitable for various chemical reactions and applications.

Formula: C₉H₉ClFN·ClH

InChI: InChI=1S/C9H9ClFN.ClH/c10-8-2-1-6-5-12-4-3-7(6)9(8)11;/h1-2,12H,3-5H2;1H

InChI key: InChIKey=XIYRQYBOHUQUMP-UHFFFAOYSA-N

SMILES: FC1=C2C(=CC=C1Cl)CNCC2.Cl

Synonyms:

• Isoquinoline, 6-chloro-5-fluoro-1,2,3,4-tetrahydro-, hydrochloride (1:1)

6-Chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

CAS: 1956334-35-2

Versatile small molecule scaffold

Formula: C₉H₁₀Cl₂FN

Purity: Min. 95%

Molecular weight: 222.08 g/mol

Ref: 3D-GDD33435