| Sonrisas canónicas | C1=CC(=CC=C1C2=CC(=CNC2=O)C(=O)O)Cl |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid |
| InChIKey | ANDWTEUTDIJBOP-UHFFFAOYSA-N |
| INCHI | 1S/C12H8ClNO3/c13-9-3-1-7(2-4-9)10-5-8(12(16)17)6-14-11(10)15/h1-6H,(H,14,15)(H,16,17) |
| Isómeros SMILES | C1=CC(=CC=C1C2=CC(=CNC2=O)C(=O)O)Cl |
| PubChem CID | 53223013 |
| Peso molecular | 249.65 |
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 | Pyridinecarboxylic acids Dihydropyridinecarboxylic acids and derivatives Pyridinones Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyridine - Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Chlorobenzene - Dihydropyridine - Halobenzene - Pyridinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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 | 249.650 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 249.019 Da |
| Monoisotopic Mass | 249.019 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 406.000 |
| 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 |
