| Pubchem Sid | 504770606 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770606 |
| Canonical Smiles | COC(=O)C1=C(N=CC(=C1)Br)F |
| IUPAC Name | methyl 5-bromo-2-fluoropyridine-3-carboxylate |
| InChIKey | QWPLSFRRQYGYTD-UHFFFAOYSA-N |
| INCHI | 1S/C7H5BrFNO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3 |
| Isomeric SMILES | COC(=O)C1=C(N=CC(=C1)Br)F |
| Molecular Weight | 234.02 |
| Reaxy-Rn | 15467362 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15467362&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 | Polyhalopyridines 2-halopyridines Aryl fluorides Aryl bromides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl fluoride - Aryl halide - Methyl ester - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen 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 |
|---|---|---|---|
 L2524036 | Certificate of Analysis | Dec 29, 2025 | M195899 |
| K2127175 | Certificate of Analysis | Sep 06, 2024 | M195899 |
| K2127176 | Certificate of Analysis | Sep 06, 2024 | M195899 |
| K2127177 | Certificate of Analysis | Sep 06, 2024 | M195899 |
| K2127178 | Certificate of Analysis | Sep 06, 2024 | M195899 |
| K2127179 | Certificate of Analysis | Sep 06, 2024 | M195899 |
| F2405129 | Certificate of Analysis | Nov 12, 2021 | M195899 |
| Molecular Weight | 234.020 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 232.949 Da |
| Monoisotopic Mass | 232.949 Da |
| Topological Polar Surface Area | 39.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| 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 |
