Cas no 1804698-96-1 (3-Amino-6-cyano-2-(difluoromethyl)-5-fluoropyridine)

3-Amino-6-cyano-2-(difluoromethyl)-5-fluoropyridine is a fluorinated pyridine derivative with a unique structural motif, combining amino, cyano, and difluoromethyl functional groups. This compound exhibits significant potential as a versatile intermediate in pharmaceutical and agrochemical synthesis due to its electron-deficient pyridine core and multiple reactive sites. The presence of fluorine atoms enhances metabolic stability and lipophilicity, while the amino and cyano groups offer sites for further derivatization. Its distinct substitution pattern enables selective modifications, making it valuable for constructing complex heterocyclic systems. The compound's stability under various reaction conditions and its compatibility with cross-coupling reactions further highlight its utility in medicinal chemistry and material science applications.
3-Amino-6-cyano-2-(difluoromethyl)-5-fluoropyridine structure
1804698-96-1 structure
Product Name:3-Amino-6-cyano-2-(difluoromethyl)-5-fluoropyridine
CAS No:1804698-96-1
MF:C7H4F3N3
MW:187.121971130371
CID:4921971
Update Time:2025-07-02

3-Amino-6-cyano-2-(difluoromethyl)-5-fluoropyridine Chemical and Physical Properties

Names and Identifiers

    • 3-Amino-6-cyano-2-(difluoromethyl)-5-fluoropyridine
    • Inchi: 1S/C7H4F3N3/c8-3-1-4(12)6(7(9)10)13-5(3)2-11/h1,7H,12H2
    • InChI Key: VLPJIQDNFFIDAC-UHFFFAOYSA-N
    • SMILES: FC(C1C(=CC(=C(C#N)N=1)F)N)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 224
  • XLogP3: 1
  • Topological Polar Surface Area: 62.7

3-Amino-6-cyano-2-(difluoromethyl)-5-fluoropyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A023030264-500mg
3-Amino-6-cyano-2-(difluoromethyl)-5-fluoropyridine
1804698-96-1 97%
500mg
$1,019.20 2022-04-01
Alichem
A023030264-1g
3-Amino-6-cyano-2-(difluoromethyl)-5-fluoropyridine
1804698-96-1 97%
1g
$1,646.40 2022-04-01
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