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CS-W001157 4
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3-Bromo-5-fluoroisonicotinonitrile

  • CAS No. 1353636-66-4

  • Cat. No. CS-0042829
  • Molecule weight201.00
  • Purity≥98%
  • MDL No.None

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

3-Bromo-5-fluoroisonicotinonitrile|CS-0042829

Structure of 1353636-66-4

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General Information

  • CAS No. 1353636-66-4
  • Cat. No. CS-0042829
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂BrFN₂
  • Molecular Weight 201.00
  • Synonym(s) 3-bromo-5-fluoropyridine-4-carbonitrile
  • SMILES N#CC1=C(F)C=NC=C1Br

Description

3-Bromo-5-fluoroisonicotinonitrile features a strategically positioned bromine and fluorine substituent on an isonicotinonitrile scaffold, enabling selective cross-coupling reactions. The electron-deficient pyridine ring enhances reactivity in palladium-catalyzed transformations, while the nitrile group provides a handle for downstream functionalization. This bench-stable intermediate supports efficient synthesis of bioactive heterocycles and advanced pharmaceutical building blocks.

Application

3-Bromo-5-fluoroisonicotinonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogenation pattern. The nitrile group provides a handle for downstream functionalization, while the fluoro and bromo substituents offer complementary reactivity for sequential derivatization. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for constructing heterocyclic scaffolds 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-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   1.85488
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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