Determine the necessary mass, volume, or concentration for preparing a solution.
≥97%(HPLC) 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.
| Pubchem Sid | 488189702 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189702 |
| Canonical Smiles | COC(=O)C1=CNC(=O)C=C1 |
| IUPAC Name | methyl 6-oxo-1H-pyridine-3-carboxylate |
| InChIKey | JTVVPKLHKMKWNN-UHFFFAOYSA-N |
| INCHI | 1S/C7H7NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h2-4H,1H3,(H,8,9) |
| Isomeric SMILES | COC(=O)C1=CNC(=O)C=C1 |
| Molecular Weight | 153.14 |
| Reaxy-Rn | 5330716 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5330716&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 |
| Class | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Dihydropyridinecarboxylic acids and derivatives Pyridinones Vinylogous amides Methyl esters Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Pyridinone - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Lactam - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 09, 2026 | M157821 | |
| Certificate of Analysis | Jun 09, 2026 | M157821 | |
| Certificate of Analysis | Jun 09, 2026 | M157821 | |
| Certificate of Analysis | Jun 09, 2026 | M157821 | |
| Certificate of Analysis | Jun 09, 2026 | M157821 | |
| Certificate of Analysis | Feb 08, 2025 | M157821 | |
| Certificate of Analysis | Dec 09, 2022 | M157821 | |
| Certificate of Analysis | Jul 11, 2022 | M157821 | |
| Certificate of Analysis | Jul 11, 2022 | M157821 | |
| Certificate of Analysis | Jul 11, 2022 | M157821 | |
| Certificate of Analysis | Jul 11, 2022 | M157821 |
| Melt Point(°C) | 166 °C |
|---|---|
| Molecular Weight | 153.140 g/mol |
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 153.043 Da |
| Monoisotopic Mass | 153.043 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 252.000 |
| 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 |