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5-Fluoro-3-nitropicolinonitrile

  • CAS No. 1033202-51-5

  • Cat. No. CS-0043814
  • Purity≥97%
  • MDL No.None

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

5-Fluoro-3-nitropicolinonitrile|CS-0043814

Structure of 1033202-51-5

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General Information

  • CAS No. 1033202-51-5
  • Cat. No. CS-0043814
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂FN₃O₂
  • Molecular Weight 167.10
  • Synonym(s) 5-fluoro-3-nitropyridine-2-carbonitrile
  • SMILES N#CC1=NC=C(F)C=C1[N+]([O-])=O

Description

5-Fluoro-3-nitropicolinonitrile features a trifunctional pyridine core bearing fluorine, nitro, and cyano groups in strategic ortho positions. This electron-deficient scaffold enables direct integration into heterocyclic architectures via nucleophilic substitution or transition-metal-catalyzed coupling. The molecule exhibits enhanced stability under standard bench conditions and facilitates rapid assembly of complex nitrogen-rich frameworks for medicinal chemistry and materials applications.

Application

5-Fluoro-3-nitropicolinonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridine scaffolds. Its strategic placement of fluorine, nitro, and cyano groups supports sequential functionalization via nucleophilic substitution, reduction, and cyclization reactions. The molecule exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic campaigns in medicinal chemistry and process development.

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   79.82
  • LogP   1.00058
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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