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CS-W001157 4
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Isoquinoline-5-carbonitrile

  • CAS No. 27655-41-0

  • Cat. No. CS-W005357
  • Purity≥98%
  • MDL No.MFCD03109890

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

Isoquinoline-5-carbonitrile|CS-W005357

Structure of 27655-41-0

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General Information

  • CAS No. 27655-41-0
  • Cat. No. CS-W005357
  • Purity ≥98%
  • MDL No. MFCD03109890
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆N₂
  • Molecular Weight 154.17
  • Synonym(s) 5-Cyanoisoquinoline
  • SMILES N#CC1=CC=CC2=C1C=CN=C2

Description

5-Isoquinolinecarbonitrile is a bench-stable, electron-deficient heteroaromatic scaffold featuring a nitrile group at the 5-position of the isoquinoline core. This configuration enables direct incorporation into C–C and C–heteroatom coupling reactions, serving as a versatile building block for pharmaceutical intermediates and functional materials.

Application

5-Isoquinolinecarbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of isoquinoline-based scaffolds through palladium-catalyzed couplings and nucleophilic addition reactions. Its nitrile group provides a handle for selective transformations, including reduction to aldehyde or amine functionalities, while maintaining stability under standard synthetic conditions. The molecule exhibits excellent bench stability and compatibility with diverse functional groups, facilitating its use in multi-step synthesis and high-throughput screening campaigns.

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

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.10648
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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