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5-Nitro-3-(trifluoromethyl)-2(1H)-pyridinone

  • CAS No. 99368-66-8

  • Cat. No. CS-M3575
  • Purity≥98%
  • MDL No.MFCD01459365

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

5-Nitro-3-(trifluoromethyl)-2(1H)-pyridinone|CS-M3575

Structure of 99368-66-8

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General Information

  • CAS No. 99368-66-8
  • Cat. No. CS-M3575
  • Purity ≥98%
  • MDL No. MFCD01459365
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃F₃N₂O₃
  • Molecular Weight 208.09
  • Synonym(s) 2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine; 5-Nitro-3-(trifluoromethyl)pyridin-2(1H)-one; 5-Nitro-3-(trifluoromethyl)pyridin-2-ol; 2-Hydroxy-5-nitro-3-(trifluoromethyl)
  • SMILES O=C1C(C(F)(F)F)=CC([N+]([O-])=O)=CN1

Description

5-Nitro-3-(trifluoromethyl)-2(1H)-pyridinone features a strongly electron-deficient pyridinone core enhanced by nitro and trifluoromethyl substituents. This combination imparts high reactivity in cross-coupling and nucleophilic substitution reactions, enabling efficient incorporation into complex heterocyclic architectures under mild conditions.

Synthesis

  • Route1

    References

    • Takeda Pharmaceutical Company Limited Patent: US2007/60623 A1, 2007 ; Location in patent: Page/Page column 39 ;

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

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Computational Chemistry Data

  • TPSA   76
  • LogP   1.3019
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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