Cas no 905273-56-5 (Dimethyl 6-(trifluoromethyl)pyridine-2,3-dicarboxylate)

Dimethyl 6-(trifluoromethyl)pyridine-2,3-dicarboxylate is a fluorinated pyridine derivative with significant utility in pharmaceutical and agrochemical synthesis. Its key structural features include a trifluoromethyl group at the 6-position and ester functionalities at the 2- and 3-positions, enhancing reactivity and enabling versatile derivatization. The trifluoromethyl group imparts electron-withdrawing properties, improving stability and influencing binding interactions in bioactive molecules. The diester moiety facilitates further functionalization, making it a valuable intermediate for constructing heterocyclic compounds. This compound is particularly useful in the development of fluorinated active ingredients, where its well-defined reactivity profile and synthetic accessibility contribute to efficient route design. High purity and consistent performance make it a reliable choice for research and industrial applications.
Dimethyl 6-(trifluoromethyl)pyridine-2,3-dicarboxylate structure
905273-56-5 structure
Product Name:Dimethyl 6-(trifluoromethyl)pyridine-2,3-dicarboxylate
CAS No:905273-56-5
MF:C10H8F3NO4
MW:263.170033454895
CID:1031250
PubChem ID:57753443
Update Time:2025-05-28

Dimethyl 6-(trifluoromethyl)pyridine-2,3-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl 6-(trifluoromethyl)pyridine-2,3-dicarboxylate
    • J-520367
    • Dimethyl6-(trifluoromethyl)pyridine-2,3-dicarboxylate
    • 6-trifluoromethyl-pyridine-2,3-dicarboxylic acid dimethyl ester
    • SCHEMBL3878179
    • 905273-56-5
    • DTXSID90727835
    • Inchi： 1S/C10H8F3NO4/c1-17-8(15)5-3-4-6(10(11,12)13)14-7(5)9(16)18-2/h3-4H,1-2H3
    • InChI Key： YTAPRVDYXPLQDW-UHFFFAOYSA-N
    • SMILES： FC(C1=CC=C(C(=O)OC)C(C(=O)OC)=N1)(F)F

Computed Properties

  • Exact Mass: 263.04054222g/mol
  • Monoisotopic Mass: 263.04054222g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 332
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 65.5?2

Dimethyl 6-(trifluoromethyl)pyridine-2,3-dicarboxylate Pricemore >>

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