Cas no 1805653-40-0 (2-(Difluoromethoxy)-5-hydroxynicotinonitrile)

2-(Difluoromethoxy)-5-hydroxynicotinonitrile is a fluorinated nicotinonitrile derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a difluoromethoxy group at the 2-position and a hydroxyl group at the 5-position of the pyridine ring, enhancing its reactivity and binding properties. The presence of the nitrile group offers versatility for further functionalization, making it a valuable intermediate in synthetic chemistry. The difluoromethoxy moiety contributes to improved metabolic stability and lipophilicity, which may be advantageous in drug design. This compound is particularly useful in the development of bioactive molecules, where selective fluorination can influence pharmacokinetic properties. High purity and well-defined synthesis routes ensure reproducibility for research applications.
2-(Difluoromethoxy)-5-hydroxynicotinonitrile structure
1805653-40-0 structure
Product Name:2-(Difluoromethoxy)-5-hydroxynicotinonitrile
CAS No:1805653-40-0
MF:C7H4F2N2O2
MW:186.115668296814
MDL:MFCD28760261
CID:4707060
Update Time:2025-10-29

2-(Difluoromethoxy)-5-hydroxynicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(difluoromethoxy)-5-hydroxynicotinonitrile
    • 2-(Difluoromethoxy)-5-hydroxynicotinonitrile
    • MDL: MFCD28760261
    • Inchi: 1S/C7H4F2N2O2/c8-7(9)13-6-4(2-10)1-5(12)3-11-6/h1,3,7,12H
    • InChI Key: KUTMAKODZRHOTH-UHFFFAOYSA-N
    • SMILES: FC(OC1C(C#N)=CC(=CN=1)O)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 216
  • Topological Polar Surface Area: 66.1

2-(Difluoromethoxy)-5-hydroxynicotinonitrile Pricemore >>

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