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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)N2C=C(C(=O)C=C2CO)O |
|---|---|
| IUPAC Name | 5-hydroxy-2-(hydroxymethyl)-1-phenylpyridin-4-one |
| InChIKey | JFSCKVXXRWUABD-UHFFFAOYSA-N |
| INCHI | 1S/C12H11NO3/c14-8-10-6-11(15)12(16)7-13(10)9-4-2-1-3-5-9/h1-7,14,16H,8H2 |
| Molecular Weight | 217.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Hydroxypyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxypyridines |
| Alternative Parents | Dihydropyridines Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridine - Hydroxypyridine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Cyclic ketone - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 217.220 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 217.074 Da |
| Monoisotopic Mass | 217.074 Da |
| Topological Polar Surface Area | 60.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 340.000 |
| 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 |