Cas no 1261663-40-4 (Methyl 5-(2,3-difluorophenyl)nicotinate)

Methyl 5-(2,3-difluorophenyl)nicotinate structure
1261663-40-4 structure
Product Name:Methyl 5-(2,3-difluorophenyl)nicotinate
CAS No:1261663-40-4
MF:C13H9F2NO2
MW:249.212870359421
CID:1031186
PubChem ID:71304423
Update Time:2025-04-20

Methyl 5-(2,3-difluorophenyl)nicotinate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-(2,3-difluorophenyl)nicotinate
    • Methyl 5-(2,3-difluorophenyl)nicotite
    • methyl 5-(2,3-difluorophenyl)pyridine-3-carboxylate
    • Methyl5-(2,3-difluorophenyl)nicotinate
    • 1261663-40-4
    • DTXSID20745269
    • DB-265457
    • Inchi: 1S/C13H9F2NO2/c1-18-13(17)9-5-8(6-16-7-9)10-3-2-4-11(14)12(10)15/h2-7H,1H3
    • InChI Key: BSFMXPISNUGRFV-UHFFFAOYSA-N
    • SMILES: FC1C(=CC=CC=1C1C=NC=C(C(=O)OC)C=1)F

Computed Properties

  • Exact Mass: 249.06013485g/mol
  • Monoisotopic Mass: 249.06013485g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 301
  • 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: 2.5
  • Topological Polar Surface Area: 39.2?2

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