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CS-W001157 4
Total: USD 88.00

2-Chloro-3-fluoropyridine-4-carboxylic acid

  • CAS No. 628691-93-0

  • Cat. No. CS-D0957
  • Purity≥98%
  • MDL No.MFCD04038325

*For research and further manufacturing use only, not for direct human use.

2-Chloro-3-fluoropyridine-4-carboxylic acid|CS-D0957

Structure of 628691-93-0

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General Information

  • CAS No. 628691-93-0
  • Cat. No. CS-D0957
  • Purity ≥98%
  • MDL No. MFCD04038325
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃ClFNO₂
  • Molecular Weight 175.55
  • Synonym(s) 2-Chloro-3-fluoroisonicotinic acid
  • SMILES O=C(C1=C(F)C(Cl)=NC=C1)O

Description

2-Chloro-3-fluoropyridine-4-carboxylic acid features a pyridine core functionalized with chlorine, fluorine, and carboxylic acid groups at positions 2, 3, and 4, respectively. This electron-deficient heterocycle serves as a key building block in medicinal chemistry for synthesizing bioactive compounds. The molecule exhibits enhanced metabolic stability and favorable binding affinity in target-directed drug discovery campaigns.

Application

2-Chloro-3-fluoropyridine-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through palladium-catalyzed cross-coupling and nucleophilic substitution reactions. Its ortho-halogenated pyridine core offers predictable reactivity and excellent functional group tolerance, facilitating efficient derivatization for drug discovery applications. The carboxylic acid functionality supports direct conjugation or activation for amide bond formation, enhancing its utility in scaffold diversification.

Synthesis

  • Route1
    • In-stock
      2-Chloro-3-fluoropyridine|CS-W020185
      17282-04-1
    • null|null
      124-38-9
    • ~77%
    • In-stock
      2-Chloro-3-fluoropyridine-4-carboxylic acid|CS-D0957
      628691-93-0

    References

    • MERCK SHARP and DOHME LIMITED Patent: WO2003/99816 A1, 2003 ; Location in patent: Page 61 ; WO 03/099816 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   1.5723
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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