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CS-W001157 4
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3-Ethynyl-5-fluoropyridine

  • CAS No. 872122-54-8

  • Cat. No. CS-0456751
  • Molecule weight121.11
  • Purity≥97%
  • MDL No.MFCD13175288

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

3-Ethynyl-5-fluoropyridine|CS-0456751

Structure of 872122-54-8

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General Information

  • CAS No. 872122-54-8
  • Cat. No. CS-0456751
  • Purity ≥97%
  • MDL No. MFCD13175288
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FN
  • Molecular Weight 121.11
  • Synonym(s) PYRIDINE,3-ETHYNYL-5-FLUORO
  • SMILES C#CC1=CC(=CN=C1)F

Description

3-Ethynyl-5-fluoropyridine features a conjugated alkyne tethered to a fluorinated pyridine core, enabling efficient coupling in copper-catalyzed click reactions. The electron-deficient heterocycle enhances reactivity in transition metal-mediated transformations, while the terminal alkyne offers compatibility with diverse functionalization protocols. This compound serves as a key building block for bioactive scaffolds and advanced materials.

Application

3-Ethynyl-5-fluoropyridine serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal reactivity profile. The ethynyl group facilitates efficient Sonogashira and Glaser-type couplings, while the fluorinated pyridine moiety provides enhanced metabolic stability and electronic modulation. This compound exhibits excellent bench stability, mild handling requirements, and compatibility with diverse functional groups, making it well-suited for constructing complex heterocyclic scaffolds in medicinal chemistry and materials science applications.

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   12.89
  • LogP   1.202
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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