≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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(=O)NC1=NC=C(C(=C1)C(=O)O)Cl |
|---|---|
| IUPAC Name | 2-acetamido-5-chloropyridine-4-carboxylic acid |
| InChIKey | ORAHTDAWLWQGPL-UHFFFAOYSA-N |
| INCHI | 1S/C8H7ClN2O3/c1-4(12)11-7-2-5(8(13)14)6(9)3-10-7/h2-3H,1H3,(H,13,14)(H,10,11,12) |
| Isómeros SMILES | CC(=O)NC1=NC=C(C(=C1)C(=O)O)Cl |
| Peso molecular | 214.6 |
| Reaxy-Rn | 15516648 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15516648&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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-acetylarylamines 1-carboxy-2-haloaromatic compounds Imidolactams Aryl chlorides Vinylogous halides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - N-acetylarylamine - 1-carboxy-2-haloaromatic compound - N-arylamide - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous halide - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic nitrogen 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 | 214.600 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 214.015 Da |
| Monoisotopic Mass | 214.015 Da |
| Topological Polar Surface Area | 79.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 247.000 |
| 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 |
