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3-Chloro-5-fluoropyridine-4-carboxylic acid

  • CAS No. 514798-03-9

  • Cat. No. CS-0183288
  • Purity≥98%
  • MDL No.None

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

3-Chloro-5-fluoropyridine-4-carboxylic acid|CS-0183288

Structure of 514798-03-9

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General Information

  • CAS No. 514798-03-9
  • Cat. No. CS-0183288
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃ClFNO₂
  • Molecular Weight 175.54
  • Synonym(s) 3-Chloro-5-fluoroisonicotinic acid
  • SMILES C1=NC=C(C(=C1Cl)C(=O)O)F

Description

3-Chloro-5-fluoropyridine-4-carboxylic acid features a pyridine core functionalized with chlorine, fluorine, and carboxylic acid groups at strategic positions. This electron-deficient heterocycle enables efficient coupling reactions in medicinal chemistry and agrochemical synthesis. The carboxylic acid moiety provides a handle for derivatization, while the halogen substituents facilitate cross-coupling transformations. Bench-stable and moisture-tolerant, it serves as a key building block for bioactive molecules.

Application

3-Chloro-5-fluoropyridine-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive heterocycles via standard coupling reactions. Its orthogonal halogenation pattern facilitates selective functionalization, while the carboxylic acid group supports facile derivatization through amide, ester, or acyl transfer reactions. Bench-stable and readily purified by recrystallization, it functions effectively in both small-molecule synthesis and API intermediate development.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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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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