≥95% 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.
| Canonical Smiles | C1=CC(=C(C=C1F)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=NC=CS3)O |
|---|---|
| IUPAC Name | 5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carbonitrile |
| InChIKey | UQIGCJCBICLMIX-UHFFFAOYSA-N |
| INCHI | 1S/C16H8FN3O3S/c17-11-1-2-13(21)12(6-11)14(22)10-5-9(7-18)15(23)20(8-10)16-19-3-4-24-16/h1-6,8,21H |
| Molecular Weight | 341.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Pyridinecarboxylic acids and derivatives 3-pyridinecarbonitriles Benzoyl derivatives P-fluorophenols 1-hydroxy-2-unsubstituted benzenoids Dihydropyridines Fluorobenzenes Pyridinones Aryl fluorides Heteroaromatic compounds Vinylogous amides Vinylogous acids Thiazoles Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Pyridine carboxylic acid or derivatives - Benzoyl - 4-halophenol - 4-fluorophenol - 3-pyridinecarbonitrile - 1-hydroxy-2-unsubstituted benzenoid - Dihydropyridine - Fluorobenzene - Halobenzene - Pyridinone - Phenol - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Hydropyridine - Pyridine - Aryl halide - Heteroaromatic compound - Azole - Vinylogous amide - Vinylogous acid - Thiazole - Lactam - Carbonitrile - Azacycle - Organoheterocyclic compound - Nitrile - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 341.300 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 341.027 Da |
| Monoisotopic Mass | 341.027 Da |
| Topological Polar Surface Area | 123.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 669.000 |
| 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 |
