≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 508817311 |
|---|---|
| Canonical Smiles | COC(=O)C1=CNC(=O)C(=C1)[N+](=O)[O-] |
| IUPAC Name | methyl 5-nitro-6-oxo-1H-pyridine-3-carboxylate |
| InChIKey | ILGFGEIQCLRIBI-UHFFFAOYSA-N |
| INCHI | 1S/C7H6N2O5/c1-14-7(11)4-2-5(9(12)13)6(10)8-3-4/h2-3H,1H3,(H,8,10) |
| Isomeric SMILES | COC(=O)C1=CNC(=O)C(=C1)[N+](=O)[O-] |
| WGK Germany | 3 |
| Alternate CAS | 222970-61-8 |
| PubChem CID | 15906357 |
| Molecular Weight | 198.13 |
| Beilstein | 195801 |
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 Nitroaromatic compounds Pyridinones Vinylogous amides Heteroaromatic compounds Methyl esters Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Nitroaromatic compound - Dihydropyridine - Pyridinone - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Lactam - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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 |
|---|---|---|---|
 A2431283 | Certificate of Analysis | Jan 22, 2024 | M632283 |
| A2431284 | Certificate of Analysis | Jan 22, 2024 | M632283 |
| A2431285 | Certificate of Analysis | Jan 22, 2024 | M632283 |
| A2431297 | Certificate of Analysis | Jan 22, 2024 | M632283 |
| A2431298 | Certificate of Analysis | Jan 22, 2024 | M632283 |
| A2431299 | Certificate of Analysis | Jan 22, 2024 | M632283 |
| A2431300 | Certificate of Analysis | Jan 22, 2024 | M632283 |
| Molecular Weight | 198.130 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 198.028 Da |
| Monoisotopic Mass | 198.028 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 363.000 |
| 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 |
