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CS-W001157 4
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5-Bromo-2-nitroisonicotinic acid

  • CAS No. 1356412-82-2

  • Cat. No. CS-0041477
  • Molecule weight247.00
  • Purity≥98%
  • MDL No.MFCD21648462

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

5-Bromo-2-nitroisonicotinic acid|CS-0041477

Structure of 1356412-82-2

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General Information

  • CAS No. 1356412-82-2
  • Cat. No. CS-0041477
  • Purity ≥98%
  • MDL No. MFCD21648462
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃BrN₂O₄
  • Molecular Weight 247.00
  • Synonym(s) 5-bromo-2-nitropyridine-4-carboxylic acid
  • SMILES O=C(O)C1=C(Br)C=NC([N+]([O-])=O)=C1

Description

5-Bromo-2-nitroisonicotinic acid features a bromine substituent at the 5-position and a nitro group at the 2-position on an isonicotinic acid scaffold. This electron-deficient heterocycle integrates readily into cross-coupling reactions and serves as a key intermediate in medicinal chemistry, particularly for constructing bioactive nitrogen-containing scaffolds under standard conditions.

Application

5-Bromo-2-nitroisonicotinic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the C5 position via cross-coupling reactions. The nitro group facilitates subsequent reduction and cyclization to access biologically relevant heterocyclic scaffolds. Its bench-stable nature, combined with orthogonal reactivity of bromo and nitro functionalities, supports efficient late-stage diversification in multi-step synthetic sequences.

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   93.33
  • LogP   1.4505
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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