≥90% 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 | CC1=CC(=CC(=C1)N2C=C(C(=O)C=C2C)C(=O)O)C |
|---|---|
| IUPAC Name | 1-(3,5-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid |
| InChIKey | IUIVPMSEAZGXTC-UHFFFAOYSA-N |
| INCHI | 1S/C15H15NO3/c1-9-4-10(2)6-12(5-9)16-8-13(15(18)19)14(17)7-11(16)3/h4-8H,1-3H3,(H,18,19) |
| Isomeric SMILES | CC1=CC(=CC(=C1)N2C=C(C(=O)C=C2C)C(=O)O)C |
| PubChem CID | 1489744 |
| Molecular Weight | 257.29 |
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 | Dihydropyridinecarboxylic acids and derivatives m-Xylenes Methylpyridines Vinylogous amides Heteroaromatic compounds Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - M-xylene - Xylene - Dihydropyridine - Methylpyridine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Cyclic ketone - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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 | 257.279 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 257.105 Da |
| Monoisotopic Mass | 257.105 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 454.000 |
| 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 |
