| Sonrisas canónicas | C1=CC(=C(N=C1)C(=O)N)C(=O)O |
|---|---|
| IUPAC Name | 2-carbamoylpyridine-3-carboxylic acid |
| InChIKey | DIABIDLZBNRSPR-UHFFFAOYSA-N |
| INCHI | 1S/C7H6N2O3/c8-6(10)5-4(7(11)12)2-1-3-9-5/h1-3H,(H2,8,10)(H,11,12) |
| Isómeros SMILES | C1=CC(=C(N=C1)C(=O)N)C(=O)O |
| PubChem CID | 258810 |
| Peso molecular | 166.13 |
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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 | 2-heteroaryl carboxamides Heteroaromatic compounds Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - 2-heteroaryl carboxamide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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 | 166.130 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 166.038 Da |
| Monoisotopic Mass | 166.038 Da |
| Topological Polar Surface Area | 93.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| 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 |
