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CS-W001157 4
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7-Cyano-1H-indole-2-carboxylic acid

  • CAS No. 796870-32-1

  • Cat. No. CS-0041535
  • Molecule weight186.17
  • Purity≥98%
  • MDL No.None

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

7-Cyano-1H-indole-2-carboxylic acid|CS-0041535

Structure of 796870-32-1

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General Information

  • CAS No. 796870-32-1
  • Cat. No. CS-0041535
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆N₂O₂
  • Molecular Weight 186.17
  • Synonym(s) None
  • SMILES O=C(C(N1)=CC2=C1C(C#N)=CC=C2)O

Description

7-Cyano-1H-indole-2-carboxylic acid features a fused indole core functionalized with a cyano group at the 7-position and a carboxylic acid at the 2-position. This combination imparts enhanced electron-withdrawing character, facilitating downstream derivatization in medicinal chemistry and materials science. The molecule exhibits good stability under standard handling conditions and integrates readily into heterocyclic scaffolds for targeted molecular design.

Application

7-Cyano-1H-indole-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct access to indole-based heterocycles through standard functional group manipulations. Its ortho-cyano and carboxylic acid groups provide complementary reactivity for amidation, esterification, and cyclization reactions, facilitating rapid scaffold diversification. The molecule exhibits excellent bench stability and is readily purified by recrystallization, supporting efficient integration into multi-step syntheses.

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

Quality Control

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Computational Chemistry Data

  • TPSA   76.88
  • LogP   1.73778
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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