Cas no 1841081-69-3 (2,2-Bis(5-fluoropyridin-2-yl)acetonitrile)

2,2-Bis(5-fluoropyridin-2-yl)acetonitrile is a fluorinated pyridine derivative with a nitrile functional group, offering utility as a versatile intermediate in organic synthesis and pharmaceutical research. Its structure, featuring two 5-fluoropyridyl groups, enhances reactivity in cross-coupling reactions and facilitates the introduction of fluorinated motifs into target molecules. The nitrile group provides a handle for further functionalization, enabling transformations into amines, acids, or heterocycles. This compound is particularly valuable in medicinal chemistry for designing bioactive molecules due to the fluorine atoms' influence on metabolic stability and binding affinity. High purity and well-defined reactivity make it a reliable building block for specialized applications.
2,2-Bis(5-fluoropyridin-2-yl)acetonitrile structure
1841081-69-3 structure
Product Name:2,2-Bis(5-fluoropyridin-2-yl)acetonitrile
CAS No:1841081-69-3
MF:C12H7F2N3
MW:231.200888872147
MDL:MFCD29044861
CID:4629112
Update Time:2025-05-27

2,2-Bis(5-fluoropyridin-2-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,2-Bis(5-fluoropyridin-2-yl)acetonitrile
    • F31104
    • MDL: MFCD29044861
    • Inchi: 1S/C12H7F2N3/c13-8-1-3-11(16-6-8)10(5-15)12-4-2-9(14)7-17-12/h1-4,6-7,10H
    • InChI Key: ATYHUUDKLYDUAC-UHFFFAOYSA-N
    • SMILES: FC1=CN=C(C=C1)C(C#N)C1C=CC(=CN=1)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 279
  • XLogP3: 1.4
  • Topological Polar Surface Area: 49.6

2,2-Bis(5-fluoropyridin-2-yl)acetonitrile Pricemore >>

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