≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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)Cl)CN2C=CC=C(C2=O)C(=O)O)F |
|---|---|
| IUPAC Name | 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid |
| InChIKey | LCAXQPJGSCIVJV-UHFFFAOYSA-N |
| INCHI | 1S/C13H9ClFNO3/c14-10-4-1-5-11(15)9(10)7-16-6-2-3-8(12(16)17)13(18)19/h1-6H,7H2,(H,18,19) |
| Isomeric SMILES | C1=CC(=C(C(=C1)Cl)CN2C=CC=C(C2=O)C(=O)O)F |
| PubChem CID | 1482984 |
| Molecular Weight | 281.67 |
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 | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Dihydropyridinecarboxylic acids and derivatives Pyridinones Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Chlorobenzene - Dihydropyridine - Fluorobenzene - Halobenzene - Pyridinone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Lactam - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organofluoride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - 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 | 281.660 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 281.025 Da |
| Monoisotopic Mass | 281.025 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 449.000 |
| 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 |
