Cas no 117671-02-0 (2,6-Difluoro-nicotinic Acid Methyl Ester)

2,6-Difluoro-nicotinic Acid Methyl Ester structure
117671-02-0 structure
Product Name:2,6-Difluoro-nicotinic Acid Methyl Ester
CAS No:117671-02-0
MF:C7H5F2NO2
MW:173.116908788681
MDL:MFCD08704426
CID:132823
PubChem ID:10844940
Update Time:2025-04-19

2,6-Difluoro-nicotinic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylicacid, 2,6-difluoro-, methyl ester
    • 2,6-Difluoro-3-pyridinecarboxylic acid methyl ester
    • 2,6-Difluoro-nicotinic acid methyl ester
    • methyl 2,6-difluoropyridine-3-carboxylate
    • 2,6-difluoronicotinic acid methyl ester
    • methyl 2,6-difluoro-3-pyridinecarboxylate
    • METHYL 2,6-DIFLUORONICOTINATE
    • SY286724
    • E75863
    • 117671-02-0
    • AS-5507
    • DTXSID30445642
    • 3-Pyridinecarboxylic acid, 2,6-difluoro-, methyl ester
    • 2,6-Difluoro-3-pyridinecarboxylic acid, methyl ester
    • AKOS006290023
    • SCHEMBL1268299
    • AMY39844
    • METHYL2,6-DIFLUORONICOTINATE
    • AB48567
    • FTFGRVXYRDOUJN-UHFFFAOYSA-N
    • MFCD08704426
    • CS-0150857
    • 2,6-Difluoro-nicotinic Acid Methyl Ester
    • MDL: MFCD08704426
    • Inchi: 1S/C7H5F2NO2/c1-12-7(11)4-2-3-5(8)10-6(4)9/h2-3H,1H3
    • InChI Key: FTFGRVXYRDOUJN-UHFFFAOYSA-N
    • SMILES: FC1C(C(=O)OC)=CC=C(N=1)F

Computed Properties

  • Exact Mass: 173.02900
  • Monoisotopic Mass: 173.02883473g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 177
  • 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: 1.6
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • Density: 1.342±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 228.8±40.0 oC (760 Torr),
  • Flash Point: 92.2±27.3 oC,
  • Solubility: Slightly soluble (3.1 g/l) (25 o C),
  • PSA: 39.19000
  • LogP: 1.14640

2,6-Difluoro-nicotinic Acid Methyl Ester Pricemore >>

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