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Atomfair 3-Chloro-5-((1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl)oxy)benzonitrile Doravirine metabolite M11 C13H6ClF3N2O2 CAS 1155846-86-8

3-Chloro-5-((1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl)oxy)benzonitrile (CAS No. 1155846-86-8) is a high-purity synthetic organic compound with the molecular formula C13H6ClF3N2O2. This specialized chemical features a unique structural configuration, combining a chlorinated benzonitrile moiety with a trifluoromethyl-substituted dihydropyridinone ring via an ether linkage. As a key metabolite of Doravirine (M11), this compound is of significant interest in pharmaceutical research and development. We offer this product as a certified reference material with ≥95% purity (HPLC), supplied in amber vials under inert atmosphere to ensure stability. Ideal for analytical standards, metabolic studies, and medicinal chemistry applications, this compound is rigorously characterized by1H NMR,13C NMR, LC-MS, and elemental analysis.…

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Description

3-Chloro-5-((1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl)oxy)benzonitrile (CAS No. 1155846-86-8) is a high-purity synthetic organic compound with the molecular formula C13H6ClF3N2O2. This specialized chemical features a unique structural configuration, combining a chlorinated benzonitrile moiety with a trifluoromethyl-substituted dihydropyridinone ring via an ether linkage. As a key metabolite of Doravirine (M11), this compound is of significant interest in pharmaceutical research and development. We offer this product as a certified reference material with ≥95% purity (HPLC), supplied in amber vials under inert atmosphere to ensure stability. Ideal for analytical standards, metabolic studies, and medicinal chemistry applications, this compound is rigorously characterized by 1H NMR, 13C NMR, LC-MS, and elemental analysis. Store at 2-8°C in a dry environment.

Properties

  • CAS Number: 1155846-86-8
  • Complexity: 547
  • IUPAC Name: 3-chloro-5-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]oxy]benzonitrile
  • InChI: InChI=1S/C13H6ClF3N2O2/c14-8-3-7(6-18)4-9(5-8)21-11-10(13(15,16)17)1-2-19-12(11)20/h1-5H,(H,19,20)
  • InChI Key: HWTORHRJFMRBLG-UHFFFAOYSA-N
  • Exact Mass: 314.0069896
  • Molecular Formula: C13H6ClF3N2O2
  • Molecular Weight: 314.64
  • SMILES: C1=CNC(=O)C(=C1C(F)(F)F)OC2=CC(=CC(=C2)C#N)Cl
  • Topological: 62.1
  • Monoisotopic Mass: 314.0069896
  • Synonyms: 3-chloro-5-((2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile, Doravirine metabolite M11, 25T4FX9UFY, 3-chloro-5-{[2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile, Benzonitrile, 3-chloro-5-[[1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]-, 3-Chloro-5-((2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl)oxy)benzonitrile, 3-chloro-5-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]oxy]benzonitrile, 3-Chloro-5-((1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl)oxy)benzonitrile, Benzonitrile, 3-chloro-5-((1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl)oxy)-, 867-439-5, 1155846-86-8, 3-chloro-5-(2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yloxy)benzonitrile, MFCD30185927, UNII-25T4FX9UFY, Doravirine pyridone intermediate, SCHEMBL2512033, SCHEMBL2575555, AKOS032949964, SB18024, DB-122663, CS-0056810, 3-chloro-5-{[2-hydroxy-4-(trifluoromethyl)pyridin-3-yl]oxy}benzonitrile

Application

This compound serves as a crucial reference standard for the quantification and identification of Doravirine metabolites in pharmacokinetic studies. Researchers utilize it in LC-MS/MS method development for therapeutic drug monitoring in HIV treatment regimens. The structural features make it valuable for investigating metabolic pathways of non-nucleoside reverse transcriptase inhibitors. Additionally, it finds use in analytical method validation for regulatory compliance in pharmaceutical quality control.

Safety and Hazards

GHS Hazard Statements

  • Not Classified
  • Reported as not meeting GHS hazard criteria by 4 of 4 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

  • Not Classified

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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