| Sonrisas canónicas | C1=C(C=[N+](C=C1C(=O)O)[O-])C(=O)O |
|---|---|
| IUPAC Name | 1-oxidopyridin-1-ium-3,5-dicarboxylic acid |
| InChIKey | WDSXNMIWCDXWJS-UHFFFAOYSA-N |
| INCHI | 1S/C7H5NO5/c9-6(10)4-1-5(7(11)12)3-8(13)2-4/h1-3H,(H,9,10)(H,11,12) |
| Isómeros SMILES | C1=C(C=[N+](C=C1C(=O)O)[O-])C(=O)O |
| PubChem CID | 12355004 |
| Peso molecular | 183.12 |
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 | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Pyridinium - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. |
| External Descriptors | Not available |
| Peso molecular | 183.120 g/mol |
|---|---|
| XLogP3 | -1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 183.017 Da |
| Monoisotopic Mass | 183.017 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| 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 |
