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CS-W001157 4
Total: USD 88.00

5-Bromo-2-fluoronicotinonitrile

  • CAS No. 1256821-83-6

  • Cat. No. CS-W006991
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD18258637

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

5-Bromo-2-fluoronicotinonitrile|CS-W006991

Structure of 1256821-83-6

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General Information

  • CAS No. 1256821-83-6
  • Cat. No. CS-W006991
  • Purity ≥98%
  • MDL No. MFCD18258637
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂BrFN₂
  • Molecular Weight None
  • Synonym(s) 5-bromo-2-fluoro-pyridine-3-carbonitrile
  • SMILES N#CC1=C(F)N=CC(Br)=C1

Description

5-Bromo-2-fluoronicotinonitrile features a trifunctional pyridine core with bromo, fluoro, and nitrile groups positioned for orthogonal reactivity. This electron-deficient heterocycle enables seamless integration into cross-coupling cascades and serves as a key scaffold in medicinal chemistry.

Application

5-Bromo-2-fluoronicotinonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal reactivity profile. The nitrile group provides a handle for downstream functionalization, while the bromo and fluoro substituents offer complementary sites for selective transformations. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for constructing complex heterocyclic scaffolds and API intermediates in multi-step syntheses.

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-H312-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-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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