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CS-W001157 4
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6-Fluoronicotinic acid

  • CAS No. 403-45-2

  • Cat. No. CS-W019722
  • Purity≥97%
  • MDL No.MFCD01859863

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

6-Fluoronicotinic acid|CS-W019722

Structure of 403-45-2

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General Information

  • CAS No. 403-45-2
  • Cat. No. CS-W019722
  • Purity ≥97%
  • MDL No. MFCD01859863
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄FNO₂
  • Molecular Weight 141.10
  • Synonym(s) 6-Fluoropyridine-3-carboxylic Acid
  • SMILES O=C(C1=CC=C(F)N=C1)O

Description

6-Fluoronicotinic acid is a bench-stable, electron-deficient heterocyclic carboxylic acid featuring a fluorine atom at the 6-position of the pyridine ring. This strategic substitution enhances its utility in synthetic routes requiring directed functionalization, particularly in pharmaceutical intermediates and bioactive molecule design.

Application

6-Fluoronicotinic acid serves as a valuable building block in medicinal chemistry, enabling the construction of fluorinated heterocycles and bioactive scaffolds. Its ortho-fluoro substitution enhances metabolic stability and modulates electronic properties, while the carboxylic acid functionality facilitates direct derivatization or coupling reactions. The compound exhibits good bench stability and is compatible with standard synthetic transformations, making it a practical choice for API development and library synthesis.

Synthesis

  • Route1

    References

    • Anderson, Wayne K.; Dean, Dennis C.; Endo, Toshiyasu Journal of Medicinal Chemistry, 1990 , vol. 33, # 6 p. 1667 - 1675
  • Route2

    References

    • GE HEALTHCARE LIMITED; MEDI-PHYSICS, INC.; CUTHBERTSON, Alan; SOLBAKKEN, Magne Patent: WO2013/48811 A1, 2013 ; Location in patent: Page/Page column 28 ;
  • Route3
    • In-stock
      2-Fluoro-5-methylpyridine|CS-W019967
      2369-19-9
    • ~%
    • In-stock
      6-Fluoronicotinic acid|CS-W019722
      403-45-2
    • null|null
      65352-94-5

    References

    • Research Foundation Of State University Of New York Patent: US5583148 A1, 1996 ;

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   0.9189
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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