Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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 | 504764765 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764765 |
| Canonical Smiles | COC1=C(N=C(C=C1)C(=O)O)Br |
| IUPAC Name | 6-bromo-5-methoxypyridine-2-carboxylic acid |
| InChIKey | WOXIJGVDMQJTAC-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrNO3/c1-12-5-3-2-4(7(10)11)9-6(5)8/h2-3H,1H3,(H,10,11) |
| Isomeric SMILES | COC1=C(N=C(C=C1)C(=O)O)Br |
| Molecular Weight | 232.04 |
| Reaxy-Rn | 389122 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=389122&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 | Pyridinecarboxylic acids - Pyridine-2-carboxylic acids |
| Direct Parent | 5-alkoxy-2-carboxypyrimidines |
| Alternative Parents | Alkyl aryl ethers 2-halopyridines Aryl bromides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-alkoxy-2-carboxypyrimidine - Alkyl aryl ether - 2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | 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 |
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 | Sep 13, 2022 | B492065 | |
| Certificate of Analysis | Sep 13, 2022 | B492065 | |
| Certificate of Analysis | Sep 13, 2022 | B492065 | |
| Certificate of Analysis | Sep 13, 2022 | B492065 | |
| Certificate of Analysis | Sep 13, 2022 | B492065 | |
| Certificate of Analysis | Sep 13, 2022 | B492065 |
| Molecular Weight | 232.030 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 230.953 Da |
| Monoisotopic Mass | 230.953 Da |
| Topological Polar Surface Area | 59.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 176.000 |
| 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 |