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3-Cyano-2-fluoropyridine

  • CAS No. 3939-13-7

  • Cat. No. CS-D1001
  • Molecule weight122.10
  • Purity≥98%
  • MDL No.MFCD03095082

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

3-Cyano-2-fluoropyridine|CS-D1001

Structure of 3939-13-7

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General Information

  • CAS No. 3939-13-7
  • Cat. No. CS-D1001
  • Purity ≥98%
  • MDL No. MFCD03095082
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃FN₂
  • Molecular Weight 122.10
  • Synonym(s) 2-fluoro-nicotinonitrile
  • SMILES N#CC1=CC=CN=C1F

Description

3-Cyano-2-fluoropyridine features a strategically positioned cyano group and fluorine atom on the pyridine ring, enabling high reactivity in transition metal-catalyzed couplings. This electron-deficient heterocycle integrates readily into complex molecular architectures, particularly in medicinal chemistry scaffolds requiring polar, stable linkages.

Application

3-Cyano-2-fluoropyridine serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the 3-position via nucleophilic substitution due to the activating effect of the cyano group. The fluorine at the 2-position facilitates site-selective coupling reactions, particularly in palladium-catalyzed cross-couplings. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical scaffold for constructing heterocyclic pharmacophores and API intermediates.

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.09238
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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