≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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(=CC=C1C2=CC=C(C(=O)N2CC3=C(C=C(C=C3)Cl)Cl)C#N)F |
|---|---|
| IUPAC Name | 1-[(2,4-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile |
| InChIKey | DWMHDOYBGURNOI-UHFFFAOYSA-N |
| INCHI | 1S/C19H11Cl2FN2O/c20-15-5-1-14(17(21)9-15)11-24-18(8-4-13(10-23)19(24)25)12-2-6-16(22)7-3-12/h1-9H,11H2 |
| Isomeric SMILES | C1=CC(=CC=C1C2=CC=C(C(=O)N2CC3=C(C=C(C=C3)Cl)Cl)C#N)F |
| PubChem CID | 2765209 |
| Molecular Weight | 373.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | 3-pyridinecarbonitriles Dichlorobenzenes Pyridinones Dihydropyridines Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyridine - 1,3-dichlorobenzene - 3-pyridinecarbonitrile - Chlorobenzene - Dihydropyridine - Fluorobenzene - Halobenzene - Pyridinone - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl fluoride - Aryl halide - Hydropyridine - Heteroaromatic compound - Lactam - Azacycle - Nitrile - Carbonitrile - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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 |
| Molecular Weight | 373.200 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 372.023 Da |
| Monoisotopic Mass | 372.023 Da |
| Topological Polar Surface Area | 44.100 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 631.000 |
| 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 |
