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CS-W001157 4
Total: USD 88.00

5-Fluoropyridine-2-acetonitrile

  • CAS No. 960371-08-8

  • Cat. No. CS-D0880
  • Purity≥98%
  • MDL No.MFCD09923768

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

5-Fluoropyridine-2-acetonitrile|CS-D0880

Structure of 960371-08-8

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General Information

  • CAS No. 960371-08-8
  • Cat. No. CS-D0880
  • Purity ≥98%
  • MDL No. MFCD09923768
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅FN₂
  • Molecular Weight 136.13
  • Synonym(s) 2-Pyridineacetonitrile, 5-fluoro-
  • SMILES FC1=CN=C(CC#N)C=C1

Description

5-Fluoropyridine-2-acetonitrile features a fluorinated pyridine core paired with a reactive acetonitrile group, enabling direct functionalization in synthetic transformations. This electron-deficient heterocycle facilitates nucleophilic substitution and transition-metal-catalyzed coupling reactions under mild conditions. The nitrile moiety offers versatility for downstream derivatization via hydrolysis or reduction. Bench-stable and moisture-tolerant, it serves as a robust building block for pharmaceutical intermediates and agrochemical scaffolds.

Application

5-Fluoropyridine-2-acetonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated heterocyclic scaffolds through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its acetonitrile group facilitates functionalization via hydrolysis or reduction, while the fluorine substituent enhances metabolic stability and modulates electronic properties. The compound exhibits good bench stability and compatibility with standard synthetic workflows, making it valuable for the synthesis of bioactive molecules and API intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.28678
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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