Cas no 851386-33-9 (5,6-difluoropyridine-3-carboxylic acid)

5,6-Difluoropyridine-3-carboxylic acid is a fluorinated pyridine derivative with significant utility in pharmaceutical and agrochemical synthesis. The presence of fluorine atoms at the 5 and 6 positions enhances its reactivity and metabolic stability, making it a valuable intermediate for designing bioactive compounds. Its carboxylic acid functionality allows for further derivatization, enabling the formation of amides, esters, and other derivatives. This compound exhibits high purity and consistent performance, ensuring reliability in research and industrial applications. Its structural features contribute to improved binding affinity and selectivity in target molecules, making it a preferred choice for medicinal chemistry and material science applications.
5,6-difluoropyridine-3-carboxylic acid structure
851386-33-9 structure
Product Name:5,6-difluoropyridine-3-carboxylic acid
CAS No:851386-33-9
MF:C6H3F2NO2
MW:159.090328454971
MDL:MFCD09031171
CID:706878
PubChem ID:11457834
Update Time:2025-06-07

5,6-difluoropyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5,6-Difluoro-3-pyridinecarboxylic acid
    • 2,3-Difluoropyridine-5-carboxylic acid
    • 3-Pyridinecarboxylic acid, 5,6-difluoro-
    • 5,6-Difluoro-nicotinic acid
    • 5,6-difluoropyridine-3-carboxylic acid
    • 3-Pyridinecarboxylic acid,5,6-difluoro
    • 5,6-difluoronicotinic acid
    • 5,6-Difluoro-3-pyridinecarboxylic acid (ACI)
    • Z1198183193
    • PB14646
    • BJB38633
    • DTXSID00466445
    • P10667
    • 3-Pyridinecarboxylicacid,5,6-difluoro-
    • 851386-33-9
    • CS-0050727
    • AS-50594
    • SY097694
    • EN300-133976
    • AKOS005255390
    • MFCD09031171
    • 5,6-difluoro pyridine-3-carboxylic acid
    • SCHEMBL898595
    • J-516524
    • 5,6-difluoro-3-pyridinecarboxylicacid
    • MDL: MFCD09031171
    • Inchi: 1S/C6H3F2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
    • InChI Key: DGNBUWVYFMVMHG-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(F)C(F)=NC=1)O

Computed Properties

  • Exact Mass: 159.01300
  • Monoisotopic Mass: 159.01318466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 165
  • 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: 0.9
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Density: 1.536
  • Boiling Point: 291.323°C at 760 mmHg
  • Flash Point: 129.988°C
  • Refractive Index: 1.515
  • PSA: 50.19000
  • LogP: 1.05800

5,6-difluoropyridine-3-carboxylic acid Pricemore >>

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5,6-difluoropyridine-3-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ammonium formate Catalysts: Palladium Solvents: Ethanol ;  2 h, 25 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
Selective Functionalization of 2-Fluoropyridine, 2,3-Difluoropyridine, and 2,5-Difluoropyridine at Each Vacant Position
Bobbio, Carla; Schlosser, Manfred, Journal of Organic Chemistry, 2005, 70(8), 3039-3045

5,6-difluoropyridine-3-carboxylic acid Raw materials

5,6-difluoropyridine-3-carboxylic acid Preparation Products

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