≥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.
| Canonical Smiles | C1=CC=C(C=C1)COC2=C(N=CC(=C2)Br)C(=O)O |
|---|---|
| IUPAC Name | 5-bromo-3-phenylmethoxypyridine-2-carboxylic acid |
| InChIKey | RRBCYWSHMAGDMF-UHFFFAOYSA-N |
| INCHI | 1S/C13H10BrNO3/c14-10-6-11(12(13(16)17)15-7-10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17) |
| Isomeric SMILES | C1=CC=C(C=C1)COC2=C(N=CC(=C2)Br)C(=O)O |
| PubChem CID | 118990089 |
| Molecular Weight | 308.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 Hydroxypyridines Heterocyclic fatty acids Halogenated fatty acids Branched fatty acids Alkyl aryl ethers 2-halopyridines Benzene and substituted derivatives Secondary ketimines Heteroaromatic compounds Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Bromoalkenes Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Hydroxypyridine - Heterocyclic fatty acid - Halogenated fatty acid - Branched fatty acid - Alkyl aryl ether - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Ketimine - Azacycle - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl bromide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Imine - 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 | 308.130 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 306.984 Da |
| Monoisotopic Mass | 306.984 Da |
| Topological Polar Surface Area | 59.400 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 281.000 |
| 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 |
