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

  • CAS No. 885520-03-6

  • Cat. No. CS-W022367
  • Purity≥97%
  • MDL No.MFCD07378942

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

5-Cyano-1H-indazole-3-carboxylic acid|CS-W022367

Structure of 885520-03-6

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General Information

  • CAS No. 885520-03-6
  • Cat. No. CS-W022367
  • Purity ≥97%
  • MDL No. MFCD07378942
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅N₃O₂
  • Molecular Weight None
  • Synonym(s) 5-CYANO INDAZOLE-3-CARBOXYLIC ACID
  • SMILES O=C(C1=NNC2=C1C=C(C#N)C=C2)O

Description

5-Cyano-1H-indazole-3-carboxylic acid integrates a nitrile group and carboxylic acid functionality at distinct positions on the indazole scaffold, enabling diverse conjugation strategies. This electron-deficient heterocycle offers enhanced stability under standard conditions and serves as a key building block for bioactive molecule synthesis.

Application

5-Cyano-1H-indazole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to indazole-based scaffolds through standard functional group transformations. Its dual functionality—cyano and carboxylic acid—supports diverse derivatization pathways, including amidation, esterification, and cyclization reactions. The compound exhibits good bench stability and facilitates purification via recrystallization or chromatography, making it well-suited for iterative synthesis campaigns in API development and target-oriented discovery.

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-H312-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   89.77
  • LogP   1.13278
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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