| Sonrisas canónicas | B(C1=CC(=O)NC=C1F)(O)O |
|---|---|
| IUPAC Name | (5-fluoro-2-oxo-1H-pyridin-4-yl)boronic acid |
| InChIKey | CPPMCTLAQCKKEY-UHFFFAOYSA-N |
| INCHI | 1S/C5H5BFNO3/c7-4-2-8-5(9)1-3(4)6(10)11/h1-2,10-11H,(H,8,9) |
| Isómeros SMILES | B(C1=CC(=O)NC=C1F)(O)O |
| PubChem CID | 91618672 |
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 | Hydropyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinones |
| Alternative Parents | Dihydropyridines Aryl fluorides Heteroaromatic compounds Lactams Boronic acids Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridine - Pyridinone - Aryl fluoride - Aryl halide - Heteroaromatic compound - Lactam - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone. |
| External Descriptors | Not available |
| Peso molecular | 156.910 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 157.035 Da |
| Monoisotopic Mass | 157.035 Da |
| Topological Polar Surface Area | 69.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| 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 |
