≥95% 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 | CC1=C(C=CC(=C1)C2=CC(=CNC2=O)C(=O)O)Cl |
|---|---|
| IUPAC Name | 5-(4-chloro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid |
| InChIKey | BRSMQFRXIYQEJK-UHFFFAOYSA-N |
| INCHI | 1S/C13H10ClNO3/c1-7-4-8(2-3-11(7)14)10-5-9(13(17)18)6-15-12(10)16/h2-6H,1H3,(H,15,16)(H,17,18) |
| Molecular Weight | 263.67 |
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 | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Pyridinecarboxylic acids Dihydropyridinecarboxylic acids and derivatives Toluenes Pyridinones Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyridine - Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Chlorobenzene - Dihydropyridine - Halobenzene - Toluene - Pyridinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 263.670 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 263.035 Da |
| Monoisotopic Mass | 263.035 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 442.000 |
| 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 |
