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CS-W001157 4
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3-Iodo-1H-indazole-6-carboxylic acid

  • CAS No. 1086391-11-8

  • Cat. No. CS-0054655
  • Purity≥97%
  • MDL No.None

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

3-Iodo-1H-indazole-6-carboxylic acid|CS-0054655

Structure of 1086391-11-8

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General Information

  • CAS No. 1086391-11-8
  • Cat. No. CS-0054655
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅IN₂O₂
  • Molecular Weight 288.04
  • Synonym(s) 3-Iodo 1H-indazole-6-carboxylic acid
  • SMILES O=C(C1=CC2=C(C=C1)C(I)=NN2)O

Description

3-Iodo-1H-indazole-6-carboxylic acid features a sterically accessible indazole core functionalized with an iodine atom at the 3-position and a carboxylic acid group at the 6-position. This dual functionality enables direct coupling in cross-coupling reactions and facilitates conjugation via amide bond formation, offering a streamlined route to bioactive heterocycles in medicinal chemistry and chemical biology applications.

Application

3-Iodo-1H-indazole-6-carboxylic acid serves as a versatile building block for the construction of biologically relevant heterocyclic scaffolds. The iodine substituent enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid group supports direct derivatization or activation for amide bond formation. This compound exhibits good bench stability and facilitates efficient functionalization in medicinal chemistry campaigns targeting kinase inhibitors and other targeted therapeutics.

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-P280-P302+P352

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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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