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CS-W001157 4
Total: USD 88.00

3,5-Difluoropicolinonitrile

  • CAS No. 298709-29-2

  • Cat. No. CS-W008080
  • Purity≥98%
  • MDL No.MFCD03788759

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

3,5-Difluoropicolinonitrile|CS-W008080

Structure of 298709-29-2

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General Information

  • CAS No. 298709-29-2
  • Cat. No. CS-W008080
  • Purity ≥98%
  • MDL No. MFCD03788759
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂F₂N₂
  • Molecular Weight 140.09
  • Synonym(s) None
  • SMILES C1=C(F)C(=NC=C1F)C#N

Description

3,5-Difluoropicolinonitrile features a pyridine ring bearing two fluorine substituents at the 3 and 5 positions and a nitrile group at the 2 position. This electron-deficient heterocycle integrates readily into synthetic sequences requiring strong acceptor character. The difluoro substitution enhances metabolic stability and modulates reactivity for use in medicinal chemistry and agrochemical development.

Application

3,5-Difluoropicolinonitrile serves as a versatile building block in medicinal chemistry, enabling direct incorporation of fluorinated heterocyclic motifs into bioactive molecules. Its pyridine core exhibits enhanced metabolic stability and improved membrane permeability, while the nitrile group facilitates downstream transformations via hydrolysis, reduction, or nucleophilic addition. The 3,5-difluoro substitution pattern provides predictable electronic effects and orthogonality in multi-step syntheses, making it ideal for constructing advanced API scaffolds with controlled polarity and targeted reactivity.

Synthesis

  • Route1

    References

    • US2003/232842 A1, ; Page 8 ;

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.23148
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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