| Sonrisas canónicas | C1=CC=C(C(=C1)C(=O)NCC2=CC=CC=N2)O |
|---|---|
| IUPAC Name | 2-hydroxy-N-(pyridin-2-ylmethyl)benzamide |
| InChIKey | UETKAFXUXVMKPJ-UHFFFAOYSA-N |
| INCHI | 1S/C13H12N2O2/c16-12-7-2-1-6-11(12)13(17)15-9-10-5-3-4-8-14-10/h1-8,16H,9H2,(H,15,17) |
| Isómeros SMILES | C1=CC=C(C(=C1)C(=O)NCC2=CC=CC=N2)O |
| CAS alternativo | 57786-42-2 |
| PubChem CID | 778091 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Hydroxybenzoic acid derivatives - Salicylic acid and derivatives |
| Direct Parent | Salicylamides |
| Alternative Parents | Benzamides Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Salicylamide - Benzamide - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridine - Heteroaromatic compound - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid. |
| External Descriptors | Not available |
| Peso molecular | 228.250 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 228.09 Da |
| Monoisotopic Mass | 228.09 Da |
| Topological Polar Surface Area | 62.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 258.000 |
| 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 |
