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CS-W001157 4
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1-(4-Chloro-3-fluoropyridin-2-yl)ethanone

  • CAS No. 1393572-94-5

  • Cat. No. CS-0654663
  • Purity≥98%
  • MDL No.None

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

1-(4-Chloro-3-fluoropyridin-2-yl)ethanone|CS-0654663

Structure of 1393572-94-5

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General Information

  • CAS No. 1393572-94-5
  • Cat. No. CS-0654663
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClFNO
  • Molecular Weight 173.57
  • Synonym(s) None
  • SMILES CC(=O)C1=NC=CC(=C1F)Cl

Description

1-(4-Chloro-3-fluoropyridin-2-yl)ethanone is a fluorinated pyridine ketone featuring a reactive acetyl group at the 2-position. This electron-deficient heterocycle integrates readily into cross-coupling reactions and serves as a key intermediate in medicinal chemistry. The chloro and fluoro substituents enhance metabolic stability and modulate electronic properties for targeted ligand design.

Application

1-(4-Chloro-3-fluoropyridin-2-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated pyridine scaffolds prevalent in pharmaceutical intermediates. Its ketone functionality facilitates nucleophilic addition, enolization, and coupling reactions, while the ortho-halogen substituents support palladium-catalyzed cross-coupling processes. The compound exhibits good bench stability and compatibility with standard purification methods, making it suitable for scalable synthesis workflows.

Safety Information

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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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.0767
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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