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CS-W001157 4
Total: USD 88.00

3-Bromo-5-fluoropicolinonitrile

  • CAS No. 950670-18-5

  • Cat. No. CS-W018837
  • Purity≥96%
  • MDL No.MFCD16988825

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

3-Bromo-5-fluoropicolinonitrile|CS-W018837

Structure of 950670-18-5

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General Information

  • CAS No. 950670-18-5
  • Cat. No. CS-W018837
  • Purity ≥96%
  • MDL No. MFCD16988825
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂BrFN₂
  • Molecular Weight 201.00
  • Synonym(s) 3-Bromo-5-fluoropyridine-2-carbonitrile
  • SMILES N#CC1=NC=C(F)C=C1Br

Description

3-Bromo-5-fluoropicolinonitrile features a trifunctional pyridine core bearing bromo, fluoro, and nitrile groups in a regioselective arrangement. This electron-deficient heterocycle enables direct coupling reactions in cross-coupling and cyclization workflows. The nitrile moiety enhances reactivity in nucleophilic substitutions, while the halogen atoms facilitate palladium-catalyzed transformations. Bench-stable under standard conditions, it serves as a key building block for bioactive molecules and advanced materials.

Application

3-Bromo-5-fluoropicolinonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its compatible bromo and cyano groups. The fluorine substituent enhances metabolic stability and modulates electronic properties, while the pyridine core facilitates incorporation into bioactive heterocycles. Bench-stable and amenable to purification, it functions effectively in standard synthetic workflows for API development.

Safety Information

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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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