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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)(C)C(=O)NC1=C(N=C(C=C1)C(=O)O)Cl |
|---|---|
| IUPAC Name | 6-chloro-5-(2,2-dimethylpropanoylamino)pyridine-2-carboxylic acid |
| InChIKey | LZPRASZVDWUTNR-UHFFFAOYSA-N |
| INCHI | 1S/C11H13ClN2O3/c1-11(2,3)10(17)14-6-4-5-7(9(15)16)13-8(6)12/h4-5H,1-3H3,(H,14,17)(H,15,16) |
| Isómeros SMILES | CC(C)(C)C(=O)NC1=C(N=C(C=C1)C(=O)O)Cl |
| PubChem CID | 46736837 |
| Peso molecular | 256.69 |
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 | N-arylamides 2-halopyridines Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - N-arylamide - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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 | 256.680 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 256.061 Da |
| Monoisotopic Mass | 256.061 Da |
| Topological Polar Surface Area | 79.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 314.000 |
| 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 |
