CAS 936497-95-9

4-Chloro-5,8-difluoro-3-quinolinecarbonitrile

Description:

4-Chloro-5,8-difluoro-3-quinolinecarbonitrile is a synthetic organic compound characterized by its quinoline structure, which is a bicyclic aromatic compound containing a nitrogen atom. This substance features a chloro group and two fluorine atoms substituted at the 5 and 8 positions of the quinoline ring, along with a cyano group (-C≡N) at the 3 position. The presence of these functional groups contributes to its chemical reactivity and potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique structure allows for interactions with biological targets, making it of interest in drug discovery. Additionally, the presence of halogens can influence its electronic properties and lipophilicity, which are critical factors in pharmacokinetics. Safety data should be consulted for handling and usage, as halogenated compounds can pose environmental and health risks.

Formula: C₁₀H₃ClF₂N₂

InChI: InChI=1S/C10H3ClF2N2/c11-9-5(3-14)4-15-10-7(13)2-1-6(12)8(9)10/h1-2,4H

InChI key: InChIKey=SAOAHJVPSRSWBU-UHFFFAOYSA-N

SMILES: ClC=1C2=C(C(F)=CC=C2F)N=CC1C#N

Synonyms:

• 4-Chloro-5,8-difluoro-3-quinolinecarbonitrile
• 3-Quinolinecarbonitrile, 4-chloro-5,8-difluoro-

4-Chloro-5,8-difluoroquinoline-3-carbonitrile

CAS: 936497-95-9

Versatile small molecule scaffold

Formula: C₁₀H₃ClF₂N₂

Purity: Min. 95%

Molecular weight: 224.59 g/mol

Ref: 3D-LMB49795