Cas no 860296-21-5 (4-chloro-3-fluoro-pyridine-2-carboxylic acid)

4-Chloro-3-fluoro-pyridine-2-carboxylic acid is a fluorinated and chlorinated pyridine derivative with significant utility in pharmaceutical and agrochemical synthesis. Its structure, featuring both chloro and fluoro substituents adjacent to a carboxylic acid group, enhances reactivity and selectivity in cross-coupling reactions, making it a valuable intermediate for constructing complex heterocyclic compounds. The electron-withdrawing effects of the halogen groups facilitate nucleophilic substitution and metal-catalyzed transformations. This compound is particularly useful in medicinal chemistry for the development of bioactive molecules due to its ability to modulate physicochemical properties. High purity and consistent quality ensure reliable performance in research and industrial applications.
4-chloro-3-fluoro-pyridine-2-carboxylic acid structure
860296-21-5 structure
Product Name:4-chloro-3-fluoro-pyridine-2-carboxylic acid
CAS No:860296-21-5
MF:C6H3ClFNO2
MW:175.544924020767
MDL:MFCD16249576
CID:1081198
PubChem ID:11469373
Update Time:2025-06-07

4-chloro-3-fluoro-pyridine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-3-fluoropicolinic acid
    • 4-chloro-3-fluoropyridine-2-carboxylic acid
    • 4-chloro-3-fluoro-pyridine-2-carboxylic acid
    • 4-Chloro-3-fluoro-2-pyridinecarboxylic acid (ACI)
    • AB70765
    • AS-54459
    • Z1255421510
    • AKOS022184868
    • SCHEMBL15060252
    • 4-CHLORO-3-FLUOROPICOLINICACID
    • 4-Chloro-3-fluoro-2-pyridinecarboxylic acid
    • S10232
    • 860296-21-5
    • MFCD16249576
    • F8889-3340
    • DTXSID001264310
    • DB-241723
    • EN300-125737
    • MDL： MFCD16249576
    • Inchi： 1S/C6H3ClFNO2/c7-3-1-2-9-5(4(3)8)6(10)11/h1-2H,(H,10,11)
    • InChI Key： LNKODIBGKHYUKU-UHFFFAOYSA-N
    • SMILES： O=C(C1C(F)=C(Cl)C=CN=1)O

Computed Properties

  • Exact Mass: 174.9836342g/mol
  • Monoisotopic Mass: 174.9836342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 167
  • 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: 1.4
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 286.8±35.0 °C at 760 mmHg
  • Flash Point: 127.3±25.9 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

4-chloro-3-fluoro-pyridine-2-carboxylic acid Security Information

4-chloro-3-fluoro-pyridine-2-carboxylic acid Pricemore >>

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4-chloro-3-fluoro-pyridine-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  10 min, -75 °C
1.2 -
1.3 Reagents: Hydrochloric acid Solvents: Water ;  rt
Reference
Converting core compounds into building blocks: The concept of regiochemically exhaustive functionalization
Marzi, Elena; Bobbio, Carla; Cottet, Fabrice; Schlosser, Manfred, European Journal of Organic Chemistry, 2005, (10), 2116-2123

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