CAS 893752-69-7

1,6-Dihydro-6-thioxo-4-(trifluoromethyl)[2,3′-bipyridine]-5-carbonitrile

Description:

1,6-Dihydro-6-thioxo-4-(trifluoromethyl)[2,3′-bipyridine]-5-carbonitrile is a chemical compound characterized by its unique structural features, including a bipyridine framework and a trifluoromethyl group. The presence of a thioxo group contributes to its reactivity, particularly in nucleophilic and electrophilic reactions. This compound is likely to exhibit significant biological activity, making it of interest in medicinal chemistry and drug development. The carbonitrile functional group enhances its polarity and solubility in polar solvents, which can influence its interaction with biological targets. Additionally, the trifluoromethyl group is known to enhance lipophilicity and metabolic stability, potentially improving the pharmacokinetic properties of derivatives. The compound's CAS number, 893752-69-7, allows for easy identification in chemical databases and literature. Overall, this compound's distinctive features suggest potential applications in various fields, including pharmaceuticals and agrochemicals, although specific applications would depend on further research into its biological activity and chemical behavior.

Formula: C₁₂H₆F₃N₃S

InChI: InChI=1S/C12H6F3N3S/c13-12(14,15)9-4-10(7-2-1-3-17-6-7)18-11(19)8(9)5-16/h1-4,6H,(H,18,19)

InChI key: InChIKey=LRHUTKLPWQGSJF-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(C#N)C(=S)NC(=C1)C=2C=CC=NC2

Synonyms:

• [2,3′-Bipyridine]-5-carbonitrile, 1,6-dihydro-6-thioxo-4-(trifluoromethyl)-
• 1,6-Dihydro-6-thioxo-4-(trifluoromethyl)[2,3′-bipyridine]-5-carbonitrile
• 6-Thioxo-4-(trifluoromethyl)-1,6-dihydro-[2,3′-bipyridine]-5-carbonitrile