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2-Formyl-1H-indole-6-carbonitrile

  • CAS No. 104291-63-6

  • Cat. No. CS-0043777
  • Molecule weight170.17
  • Purity≥95%
  • MDL No.None

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

2-Formyl-1H-indole-6-carbonitrile|CS-0043777

Structure of 104291-63-6

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General Information

  • CAS No. 104291-63-6
  • Cat. No. CS-0043777
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆N₂O
  • Molecular Weight 170.17
  • Synonym(s) 6-cyanoindole-2-carboxaldehyde
  • SMILES O=CC1=CC2=C(N1)C=C(C=C2)C#N

Description

2-Formyl-1H-indole-6-carbonitrile features a fused indole core bearing both aldehyde and nitrile functionalities at adjacent positions, enabling direct incorporation into diverse heterocyclic architectures. The electron-deficient indole scaffold facilitates electrophilic substitution and serves as a key building block in medicinal chemistry and materials science applications.

Application

2-Formyl-1H-indole-6-carbonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to indole-based scaffolds through electrophilic and nucleophilic transformations. Its orthogonal functionality—formyl and nitrile groups—facilitates sequential derivatization, including reductive amination, amidation, and cyclization reactions. Bench-stable and readily purified by recrystallization, it supports scalable synthesis workflows for medicinal chemistry and materials applications.

Safety Information

Download SDS
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   56.65
  • LogP   1.85208
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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