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CS-W001157 4
Total: USD 88.00

5,6-Difluoro-1H-indole-2-carboxylic acid

  • CAS No. 169674-35-5

  • Cat. No. CS-0157280
  • Purity≥95%
  • MDL No.MFCD01863160

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

5,6-Difluoro-1H-indole-2-carboxylic acid|CS-0157280

Structure of 169674-35-5

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General Information

  • CAS No. 169674-35-5
  • Cat. No. CS-0157280
  • Purity ≥95%
  • MDL No. MFCD01863160
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₂NO₂
  • Molecular Weight 197.14
  • Synonym(s) 5-Chlor-6-fluor-1H-indol
  • SMILES C1=C2C=C(C(=O)O)NC2=CC(=C1F)F

Description

5,6-Difluoro-1H-indole-2-carboxylic acid features a fluorinated indole core with electron-withdrawing substituents at the 5 and 6 positions, enhancing metabolic stability and modulating electronic properties. This scaffold integrates readily into bioactive molecules, offering improved membrane permeability and resistance to oxidative degradation in medicinal chemistry applications.

Application

5,6-Difluoro-1H-indole-2-carboxylic acid serves as a valuable building block for the synthesis of fluorinated heterocyclic compounds. Its ortho-fluorine substituents enhance metabolic stability and modulate electronic properties, enabling efficient coupling reactions in peptide and medicinal chemistry workflows. The carboxylic acid functionality facilitates direct derivatization or salt formation, offering excellent bench stability and compatibility with standard purification protocols.

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   53.09
  • LogP   2.1443
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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