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CS-W001157 4
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5-Fluoro-1H-indole-6-carbonitrile

  • CAS No. 1201149-04-3

  • Cat. No. CS-0571832
  • Molecule weight160.15
  • Purity≥98%
  • MDL No.None

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

5-Fluoro-1H-indole-6-carbonitrile|CS-0571832

Structure of 1201149-04-3

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General Information

  • CAS No. 1201149-04-3
  • Cat. No. CS-0571832
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅FN₂
  • Molecular Weight 160.15
  • Synonym(s) 5-Fluoro-indole-6-carbonitrile
  • SMILES C1=CNC2=CC(=C(C=C21)F)C#N

Description

5-Fluoro-1H-indole-6-carbonitrile integrates a fluorinated indole scaffold with a nitrile handle, enabling direct incorporation into pharmaceutical intermediates. The electron-deficient aromatic system enhances reactivity in transition-metal-catalyzed couplings, while the para-positioned nitrile group supports downstream functionalization. This bench-stable compound serves as a key building block for bioactive heterocycles.

Application

5-Fluoro-1H-indole-6-carbonitrile serves as a versatile building block in medicinal chemistry, enabling direct incorporation of fluorinated indole scaffolds into bioactive molecules. The nitrile group facilitates downstream transformations such as amide formation or reduction to primary amine derivatives, while the 5-fluoro substitution enhances metabolic stability and modulates electronic properties. Bench-stable and compatible with standard coupling reactions, it functions effectively in parallel synthesis campaigns and API development workflows.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   39.58
  • LogP   2.17868
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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