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CS-W001157 4
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3-Iodo-1H-indazole-5-carboxylic acid

  • CAS No. 885521-46-0

  • Cat. No. CS-0041145
  • Purity≥98%
  • MDL No.MFCD07781585

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

3-Iodo-1H-indazole-5-carboxylic acid|CS-0041145

Structure of 885521-46-0

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General Information

  • CAS No. 885521-46-0
  • Cat. No. CS-0041145
  • Purity ≥98%
  • MDL No. MFCD07781585
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅IN₂O₂
  • Molecular Weight 288.04
  • Synonym(s) None
  • SMILES O=C(C1=CC2=C(NN=C2I)C=C1)O

Description

3-Iodo-1H-indazole-5-carboxylic acid features a sterically accessible indazole core functionalized with iodine and carboxylic acid groups at the 3- and 5-positions, respectively. This combination enables direct coupling in palladium-catalyzed cross-coupling reactions, offering efficient access to bioactive indazole derivatives under standard conditions. The molecule exhibits excellent stability and solubility in common organic solvents, facilitating use in synthetic workflows.

Application

3-Iodo-1H-indazole-5-carboxylic acid serves as a versatile building block for the synthesis of indazole-based pharmaceuticals and functional materials. The iodine substituent enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid group offers direct derivatization potential via amide formation or esterification. Its stability under standard bench conditions and compatibility with diverse reaction environments facilitate efficient integration into 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   65.98
  • LogP   1.8657
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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