Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 488196972 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196972 |
| Canonical Smiles | C1=CNC(=CC1=O)C(F)(F)F |
| IUPAC Name | 2-(trifluoromethyl)-1H-pyridin-4-one |
| InChIKey | LKHCWMQMRXAPHX-UHFFFAOYSA-N |
| INCHI | 1S/C6H4F3NO/c7-6(8,9)5-3-4(11)1-2-10-5/h1-3H,(H,10,11) |
| Isomeric SMILES | C1=CNC(=CC1=O)C(F)(F)F |
| PubChem CID | 10953849 |
| Molecular Weight | 163.099 |
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 | Hydropyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dihydropyridines |
| Alternative Parents | Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridine - Vinylogous amide - Heteroaromatic compound - Cyclic ketone - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 02, 2026 | T174936 | |
| Certificate of Analysis | Apr 02, 2026 | T174936 | |
| Certificate of Analysis | Apr 12, 2024 | T174936 | |
| Certificate of Analysis | Apr 12, 2024 | T174936 | |
| Certificate of Analysis | Apr 12, 2024 | T174936 | |
| Certificate of Analysis | Feb 26, 2024 | T174936 | |
| Certificate of Analysis | Jan 04, 2023 | T174936 | |
| Certificate of Analysis | Jan 04, 2023 | T174936 | |
| Certificate of Analysis | Jan 04, 2023 | T174936 | |
| Certificate of Analysis | Jan 04, 2023 | T174936 | |
| Certificate of Analysis | Jan 04, 2023 | T174936 | |
| Certificate of Analysis | Jan 04, 2023 | T174936 | |
| Certificate of Analysis | Jan 04, 2023 | T174936 | |
| Certificate of Analysis | Jan 04, 2023 | T174936 | |
| Certificate of Analysis | Jan 04, 2023 | T174936 | |
| Certificate of Analysis | Dec 16, 2022 | T174936 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 120-124°C |
| Molecular Weight | 163.100 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 163.024 Da |
| Monoisotopic Mass | 163.024 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| 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 |