≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1C2=C(C=CN=C2OCC(=O)N1CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4F |
|---|---|
| IUPAC Name | 4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-fluorophenyl)-5H-pyrido[3,2-f][1,4]oxazepin-3-one |
| InChIKey | ZIXNJVGTAXRKAP-UHFFFAOYSA-N |
| INCHI | 1S/C23H15F7N2O2/c24-19-4-2-1-3-17(19)16-5-6-31-21-18(16)11-32(20(33)12-34-21)10-13-7-14(22(25,26)27)9-15(8-13)23(28,29)30/h1-9H,10-12H2 |
| Isomeric SMILES | C1C2=C(C=CN=C2OCC(=O)N1CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4F |
| Molecular Weight | 484.37 |
| Reaxy-Rn | 23957900 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23957900&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Trifluoromethylbenzenes Fluorobenzenes Alkyl aryl ethers Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylpyridine - Trifluoromethylbenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Lactam - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2525213 | Certificate of Analysis | Dec 16, 2024 | G287908 |
| F2525214 | Certificate of Analysis | Dec 16, 2024 | G287908 |
| F2525215 | Certificate of Analysis | Dec 16, 2024 | G287908 |
| F2525216 | Certificate of Analysis | Dec 16, 2024 | G287908 |
| F2525217 | Certificate of Analysis | Dec 16, 2024 | G287908 |
| F2525218 | Certificate of Analysis | Dec 16, 2024 | G287908 |
| F2525219 | Certificate of Analysis | Dec 16, 2024 | G287908 |
| F2525220 | Certificate of Analysis | Dec 16, 2024 | G287908 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 48.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 9.69, Max Conc. mM: 20 |
|---|---|
| Molecular Weight | 484.400 g/mol |
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 484.102 Da |
| Monoisotopic Mass | 484.102 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 694.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
