≥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.
| Canonical Smiles | C1=C(C(=C(N=C1Cl)C(=O)O)N)Br |
|---|---|
| IUPAC Name | 3-amino-4-bromo-6-chloropyridine-2-carboxylic acid |
| InChIKey | RWYNVFKAAOCJEF-UHFFFAOYSA-N |
| INCHI | 1S/C6H4BrClN2O2/c7-2-1-3(8)10-5(4(2)9)6(11)12/h1H,9H2,(H,11,12) |
| Isomeric SMILES | C1=C(C(=C(N=C1Cl)C(=O)O)N)Br |
| PubChem CID | 59355425 |
| Molecular Weight | 251.46 |
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 Aminopyridines and derivatives Aryl bromides Aryl chlorides Vinylogous amides Heteroaromatic compounds Amino acids Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organooxygen compounds Primary amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Polyhalopyridine - Aminopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Amine - Organochloride - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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 |
| Molecular Weight | 251.460 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 249.914 Da |
| Monoisotopic Mass | 249.914 Da |
| Topological Polar Surface Area | 76.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| 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 |
