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7-Fluoro-1H-indole-2-carbonitrile

  • CAS No. 1539961-71-1

  • Cat. No. CS-0618345
  • Purity≥95%
  • MDL No.None

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

7-Fluoro-1H-indole-2-carbonitrile|CS-0618345

Structure of 1539961-71-1

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General Information

  • CAS No. 1539961-71-1
  • Cat. No. CS-0618345
  • Purity ≥95%
  • 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 N#CC(N1)=CC2=C1C(F)=CC=C2

Description

7-Fluoro-1H-indole-2-carbonitrile features a fluorinated indole core with a nitrile group at the 2-position, enabling direct incorporation into diverse heterocyclic scaffolds. This electron-deficient, bench-stable building block facilitates efficient access to bioactive molecules through coupling and cyclization reactions under standard conditions.

Application

7-Fluoro-1H-indole-2-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted indoles via Pd-catalyzed cross-coupling and electrophilic functionalization. The nitrile group provides a handle for derivatization, while the fluorine substituent enhances metabolic stability and modulates electronic properties. Bench-stable and readily purified by column chromatography, it facilitates scalable synthesis of bioactive heterocycles and API intermediates.

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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