≥96% 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 | 504768847 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768847 |
| Canonical Smiles | COC(=O)C1=NC=C(C=C1)CBr |
| IUPAC Name | methyl 5-(bromomethyl)pyridine-2-carboxylate |
| InChIKey | SIMKVUKTEMRUSF-UHFFFAOYSA-N |
| INCHI | 1S/C8H8BrNO2/c1-12-8(11)7-3-2-6(4-9)5-10-7/h2-3,5H,4H2,1H3 |
| Isomeric SMILES | COC(=O)C1=NC=C(C=C1)CBr |
| Molecular Weight | 230.06 |
| Reaxy-Rn | 388864 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=388864&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-alkyl-2-carboxypyrimidines |
| Alternative Parents | Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-alkyl-2-carboxypyrimidine - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group 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 |
|---|---|---|---|
 F23251548 | Certificate of Analysis | Apr 02, 2026 | M193936 |
| F23251552 | Certificate of Analysis | Apr 02, 2026 | M193936 |
| F23251563 | Certificate of Analysis | Apr 02, 2026 | M193936 |
| F23251567 | Certificate of Analysis | Apr 02, 2026 | M193936 |
| F23251572 | Certificate of Analysis | Apr 02, 2026 | M193936 |
| F23251574 | Certificate of Analysis | Apr 02, 2026 | M193936 |
| Molecular Weight | 230.060 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 228.974 Da |
| Monoisotopic Mass | 228.974 Da |
| Topological Polar Surface Area | 39.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
