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CS-W001157 4
Total: USD 88.00

2-Fluoroisonicotinonitrile

  • CAS No. 3939-14-8

  • Cat. No. CS-W008229
  • Purity≥98%
  • MDL No.MFCD09027299

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

2-Fluoroisonicotinonitrile|CS-W008229

Structure of 3939-14-8

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General Information

  • CAS No. 3939-14-8
  • Cat. No. CS-W008229
  • Purity ≥98%
  • MDL No. MFCD09027299
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃FN₂
  • Molecular Weight None
  • Synonym(s) 4-Pyridinecarbonitrile, 2-fluoro-
  • SMILES FC1=NC=CC(=C1)C#N

Description

2-Fluoroisonicotinonitrile features a fluorinated pyridine core with a nitrile group positioned at the isonicotinyl site, delivering enhanced electron-withdrawing character and metabolic stability. This configuration enables efficient integration into pharmaceutical intermediates and functional materials, particularly where polar, planar heterocycles are required under standard conditions.

Application

2-Fluoroisonicotinonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of fluorinated heterocycles and bioactive scaffolds. Its dual functionality—fluorine at the 2-position and nitrile group at the 4-position—facilitates diverse transformations, including nucleophilic additions, cyclizations, and transition-metal-catalyzed couplings. The molecule exhibits good bench stability and compatibility with standard reaction conditions, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • WO2005/66126 A1, ; Page/Page column 60 ; WO 2005/066126 A1
  • Route2
    • null|null
      383426-37-7
    • ~%
    • In-stock
      2-Fluoroisonicotinonitrile|CS-W008229
      3939-14-8

    References

    • Tetrahedron Letters, , vol. 42, # 39 p. 6815 - 6818

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312+H332-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   1.09238
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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