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CS-W001157 4
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4-Fluoro-1H-indole-3-carboxylic acid

  • CAS No. 23077-42-1

  • Cat. No. CS-0103510
  • Purity≥95%
  • MDL No.MFCD09954941

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

4-Fluoro-1H-indole-3-carboxylic acid|CS-0103510

Structure of 23077-42-1

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General Information

  • CAS No. 23077-42-1
  • Cat. No. CS-0103510
  • Purity ≥95%
  • MDL No. MFCD09954941
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆FNO₂
  • Molecular Weight 179.15
  • Synonym(s) 1H-INDOLE-3-CARBOXYLIC ACID,4-FLUORO-
  • SMILES O=C(C1=CNC2=C1C(F)=CC=C2)O

Description

4-Fluoro-1H-indole-3-carboxylic acid features a fluorinated indole core with a carboxylic acid group at the 3-position, enabling direct incorporation into bioactive molecule scaffolds. The electron-withdrawing fluorine substituent enhances metabolic stability and modulates electronic properties for medicinal chemistry applications. This bench-stable, moisture-tolerant reagent facilitates efficient coupling reactions in peptide and heterocyclic synthesis workflows.

Application

4-Fluoro-1H-indole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of indole-based pharmaceuticals and agrochemicals. Its carboxylic acid functionality facilitates direct coupling reactions, while the 4-fluoro substituent enhances metabolic stability and modulates electronic properties. The compound exhibits excellent bench stability and compatibility with standard functional group transformations, making it ideal for iterative synthesis workflows and scaffold diversification.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.0052
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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