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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | C1=C(NC=C(C1=O)C=O)C(F)(F)F |
|---|---|
| IUPAC Name | 4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde |
| InChIKey | ZHHAIRYRDHGPBE-UHFFFAOYSA-N |
| INCHI | 1S/C7H4F3NO2/c8-7(9,10)6-1-5(13)4(3-12)2-11-6/h1-3H,(H,11,13) |
| Isómeros SMILES | C1=C(NC=C(C1=O)C=O)C(F)(F)F |
| CAS alternativo | 1196146-48-1 |
| PubChem CID | 72212468 |
| Peso molecular | 191.11 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridines and derivatives |
| Subclass | Pyridine carboxaldehydes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridine carboxaldehydes |
| Alternative Parents | Dihydropyridines Aryl-aldehydes Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-pyridine carboxaldehyde - Dihydropyridine - Aryl-aldehyde - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aldehyde - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group. |
| External Descriptors | Not available |
| Peso molecular | 191.110 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 191.019 Da |
| Monoisotopic Mass | 191.019 Da |
| Topological Polar Surface Area | 46.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 314.000 |
| 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 |