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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-iodopicolinonitrile

  • CAS No. 669066-35-7

  • Cat. No. CS-W003958
  • Molecule weight248.00
  • Purity≥97%
  • MDL No.MFCD18633096

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

3-Fluoro-4-iodopicolinonitrile|CS-W003958

Structure of 669066-35-7

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General Information

  • CAS No. 669066-35-7
  • Cat. No. CS-W003958
  • Purity ≥97%
  • MDL No. MFCD18633096
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂FIN₂
  • Molecular Weight 248.00
  • Synonym(s) 3-Fluoro-4-iodopyridine-2-carbonitrile
  • SMILES FC1=C(I)C=CN=C1C#N

Description

3-Fluoro-4-iodopicolinonitrile delivers a potent trifunctional scaffold for cross-coupling and diversification. The electron-deficient pyridine core pairs with a fluorine atom for directed functionalization, while the iodide enables palladium-catalyzed transformations. This bench-stable reagent integrates seamlessly into complex molecule assembly workflows.

Application

3-Fluoro-4-iodopicolinonitrile serves as a versatile building block in cross-coupling chemistry, enabling the construction of substituted heterocycles common in pharmaceutical intermediates. The iodo group facilitates reliable Suzuki, Stille, or Negishi coupling reactions, while the nitrile and fluorine substituents provide orthogonal reactivity and enhanced metabolic stability. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY; BALOG, James Aaron; HUANG, Audris; VELAPARTHI, Upender; LIU, Peiying Patent: WO2013/49263 A1, 2013 ; Location in patent: Paragraph 00296; 00297 ;

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.69698
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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