≥90% 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.
| Sonrisas canónicas | CC(C)N1C=C(C=C(C1=O)C#N)C2=CC=C(C=C2)Cl |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile |
| InChIKey | PFFXOTGDKFIWGN-UHFFFAOYSA-N |
| INCHI | 1S/C15H13ClN2O/c1-10(2)18-9-13(7-12(8-17)15(18)19)11-3-5-14(16)6-4-11/h3-7,9-10H,1-2H3 |
| Isómeros SMILES | CC(C)N1C=C(C=C(C1=O)C#N)C2=CC=C(C=C2)Cl |
| PubChem CID | 1476350 |
| Peso molecular | 272.73 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | 3-pyridinecarbonitriles Pyridinones Dihydropyridines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyridine - 3-pyridinecarbonitrile - Chlorobenzene - Dihydropyridine - Halobenzene - Pyridinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Heteroaromatic compound - Lactam - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 272.730 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 272.072 Da |
| Monoisotopic Mass | 272.072 Da |
| Topological Polar Surface Area | 44.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 476.000 |
| 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 |
