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CS-W001157 4
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5-Bromo-1-methyl-1H-indazole-3-carboxylic acid

  • CAS No. 1363380-96-4

  • Cat. No. CS-0050643
  • Purity≥97%
  • MDL No.None

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

5-Bromo-1-methyl-1H-indazole-3-carboxylic acid|CS-0050643

Structure of 1363380-96-4

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General Information

  • CAS No. 1363380-96-4
  • Cat. No. CS-0050643
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇BrN₂O₂
  • Molecular Weight 255.07
  • Synonym(s) 5-Bromo-1-methyl-indazole-3-carboxylic acid
  • SMILES CN1N=C(C(O)=O)C2=C1C=CC(Br)=C2

Description

This brominated indazole carboxylic acid integrates a methyl group at the nitrogen and a bromine substituent at the five-position, enhancing electronic and steric profile for use in bioactive molecule synthesis. The carboxylic acid functionality enables direct coupling reactions, while the scaffold offers metabolic stability and favorable solubility under standard conditions.

Application

5-Bromo-1-methyl-1H-indazole-3-carboxylic acid serves as a versatile building block for medicinal chemistry and heterocyclic synthesis, enabling direct functionalization at the C3 carboxylic acid and C5 bromine sites. Its bench-stable nature facilitates coupling reactions, including Suzuki-Miyaura and Buchwald-Hartwig transformations, while the methyl group enhances solubility and modulates electronic properties. The molecule functions as a key scaffold in the development of kinase inhibitors and other bioactive compounds.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   2.034
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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