≥97% 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 | 488193390 |
|---|---|
| Canonical Smiles | COC(=O)C1=CNC(=O)C(=C1)Br |
| IUPAC Name | methyl 5-bromo-6-oxo-1H-pyridine-3-carboxylate |
| InChIKey | KKMVACLRBBJYIJ-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrNO3/c1-12-7(11)4-2-5(8)6(10)9-3-4/h2-3H,1H3,(H,9,10) |
| Isomeric SMILES | COC(=O)C1=CNC(=O)C(=C1)Br |
| Molecular Weight | 232 |
| Reaxy-Rn | 8900969 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8900969&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 Aryl bromides Vinylogous amides Methyl esters Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Pyridinone - Aryl bromide - Aryl halide - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - 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 |
|---|---|---|---|
 E2019112 | Certificate of Analysis | Jan 05, 2026 | M184162 |
| L2529366 | Certificate of Analysis | Dec 30, 2025 | M184162 |
| J2214388 | Certificate of Analysis | Jul 21, 2025 | M184162 |
| J2214389 | Certificate of Analysis | Jul 21, 2025 | M184162 |
| J2214390 | Certificate of Analysis | Jul 21, 2025 | M184162 |
| J2214391 | Certificate of Analysis | Jul 21, 2025 | M184162 |
| Melt Point(°C) | 225-227°C |
|---|---|
| Molecular Weight | 232.030 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 230.953 Da |
| Monoisotopic Mass | 230.953 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| 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 |
