≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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=CC=NC(=C1)C2=NC=C(C(=O)N2)C(=O)O |
|---|---|
| IUPAC Name | 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid |
| InChIKey | XIXAYTYRVOIVMM-UHFFFAOYSA-N |
| INCHI | 1S/C10H7N3O3/c14-9-6(10(15)16)5-12-8(13-9)7-3-1-2-4-11-7/h1-5H,(H,15,16)(H,12,13,14) |
| Isomeric SMILES | C1=CC=NC(=C1)C2=NC=C(C(=O)N2)C(=O)O |
| PubChem CID | 21524402 |
| Molecular Weight | 217.19 |
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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpyrimidines |
| Alternative Parents | Pyrimidinecarboxylic acids Hydropyrimidine carboxylic acids and derivatives Pyrimidones Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpyrimidine - Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidone - Hydropyrimidine - Pyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxylic acid - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond. |
| External Descriptors | Not available |
| Melt Point(°C) | 330°(dec) |
|---|---|
| Molecular Weight | 217.180 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 217.049 Da |
| Monoisotopic Mass | 217.049 Da |
| Topological Polar Surface Area | 91.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 387.000 |
| 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 |
