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CS-W001157 4
Total: USD 88.00

4-Fluoro-1H-indole-5-carbonitrile

  • CAS No. 1240113-42-1

  • Cat. No. CS-0050861
  • Purity≥98%
  • MDL No.None

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

4-Fluoro-1H-indole-5-carbonitrile|CS-0050861

Structure of 1240113-42-1

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General Information

  • CAS No. 1240113-42-1
  • Cat. No. CS-0050861
  • 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) None
  • SMILES FC1=C2C=CNC2=CC=C1C#N

Description

4-Fluoro-1H-indole-5-carbonitrile integrates a fluorinated indole core with a nitrile group at the 5-position, enabling direct functionalization in medicinal chemistry. This electron-deficient heterocycle features enhanced metabolic stability and favorable binding affinity for target proteins. The molecule’s planar structure facilitates π-stacking interactions, while its moisture-tolerant handling simplifies use in multistep synthesis workflows.

Application

4-Fluoro-1H-indole-5-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted indole scaffolds through standard coupling and functionalization reactions. The electron-withdrawing nitrile group enhances reactivity at the C5 position, while the fluorine substituent provides favorable metabolic stability and modulates electronic properties. Its bench-stable nature and compatibility with palladium-catalyzed cross-couplings facilitate rapid diversification in API lead development.

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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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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