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1-Methyl-1H-indole-6-carbonitrile

  • CAS No. 20996-87-6

  • Cat. No. CS-0043605
  • Purity≥97%
  • MDL No.MFCD08690254

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

1-Methyl-1H-indole-6-carbonitrile|CS-0043605

Structure of 20996-87-6

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General Information

  • CAS No. 20996-87-6
  • Cat. No. CS-0043605
  • Purity ≥97%
  • MDL No. MFCD08690254
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂
  • Molecular Weight 156.18
  • Synonym(s) 1-methylindole-6-carbonitrile
  • SMILES N#CC1=CC2=C(C=C1)C=CN2C

Description

1-Methyl-1H-indole-6-carbonitrile features a conjugated indole core with a nitrile group at the 6-position and a methyl substituent on the nitrogen, enabling enhanced electron density and stability. This configuration supports efficient incorporation into bioactive scaffolds and functional materials.

Application

1-Methyl-1H-indole-6-carbonitrile serves as a versatile building block for medicinal chemistry and heterocyclic synthesis, offering a robust scaffold with orthogonal functional handles. The nitrile group enables subsequent transformations such as amidation, hydrolysis, or nucleophilic addition, while the methylated indole core provides stability and favorable electronic properties. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient access to complex molecular architectures in API development.

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   28.72
  • LogP   2.04998
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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