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Reagent grade Reagent Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | COC1=C(N=C(C=C1)C(=O)OC)OC |
|---|---|
| IUPAC Name | methyl 5,6-dimethoxypyridine-2-carboxylate |
| InChIKey | PVGFGXWPUXNVFR-UHFFFAOYSA-N |
| INCHI | 1S/C9H11NO4/c1-12-7-5-4-6(9(11)14-3)10-8(7)13-2/h4-5H,1-3H3 |
| Isómeros SMILES | COC1=C(N=C(C=C1)C(=O)OC)OC |
| Peso molecular | 197.19 |
| Reaxy-Rn | 52418746 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=52418746&ln= |
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 | Pyridinecarboxylic acids - Pyridine-2-carboxylic acids |
| Direct Parent | 5-alkoxy-2-carboxypyrimidines |
| Alternative Parents | Alkyl aryl ethers Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-alkoxy-2-carboxypyrimidine - Alkyl aryl ether - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 5-alkoxy-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkoxy substituent at the 5-position of the pyridine ring. |
| External Descriptors | Not available |
| Peso molecular | 197.190 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 197.069 Da |
| Monoisotopic Mass | 197.069 Da |
| Topological Polar Surface Area | 57.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 197.000 |
| 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 |
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