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CS-W001157 4
Total: USD 88.00

2-Bromo-5-fluoroisonicotinic acid

  • CAS No. 885588-12-5

  • Cat. No. CS-W000432
  • Purity≥98%
  • MDL No.MFCD09261246

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

2-Bromo-5-fluoroisonicotinic acid|CS-W000432

Structure of 885588-12-5

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General Information

  • CAS No. 885588-12-5
  • Cat. No. CS-W000432
  • Purity ≥98%
  • MDL No. MFCD09261246
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃BrFNO₂
  • Molecular Weight 220.00
  • Synonym(s) 2-Bromo-4-carboxy-5-fluoropyridine; 2-Bromo-5-fluoroisonicotinic acid
  • SMILES O=C(C1=CC(Br)=NC=C1F)O

Description

2-Bromo-5-fluoroisonicotinic acid features a strategically positioned bromine and fluorine at the pyridine ring's 2- and 5-positions, enabling selective cross-coupling and enhanced electronic tuning. This bench-stable derivative integrates readily into pharmaceutical intermediates, offering high reactivity under mild conditions with minimal side-product formation.

Application

2-Bromo-5-fluoroisonicotinic acid serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogenation pattern. The bromo and fluoro substituents facilitate sequential functionalization, while the carboxylic acid group supports direct derivatization or activation for amide bond formation. Its bench-stable crystalline form simplifies handling and purification, making it well-suited for iterative synthesis of 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   50.19
  • LogP   1.6814
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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