Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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.
| Pubchem Sid | 504755820 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755820 |
| Canonical Smiles | C1=CC(=CN=C1)C(=O)OC(=O)C2=CN=CC=C2 |
| IUPAC Name | pyridine-3-carbonyl pyridine-3-carboxylate |
| InChIKey | VPODXHOUBDCEHN-UHFFFAOYSA-N |
| INCHI | 1S/C12H8N2O3/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10/h1-8H |
| Isomeric SMILES | C1=CC(=CN=C1)C(=O)OC(=O)C2=CN=CC=C2 |
| Molecular Weight | 228.21 |
| Beilstein | 22(5)2,80 |
| Reaxy-Rn | 181570 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=181570&ln= |
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 | Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid anhydrides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid anhydride - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Oct 19, 2023 | P122673 | |
| Certificate of Analysis | Oct 19, 2023 | P122673 | |
| Certificate of Analysis | Oct 19, 2023 | P122673 | |
| Certificate of Analysis | Oct 19, 2023 | P122673 | |
| Certificate of Analysis | Oct 19, 2023 | P122673 | |
| Certificate of Analysis | Oct 19, 2023 | P122673 |
| Solubility | Soluble in Acetone |
|---|---|
| Sensitivity | Moisture Sensitive |
| Boil Point(°C) | 200°C/1mmHg |
| Melt Point(°C) | 124°C |
| Molecular Weight | 228.200 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 228.053 Da |
| Monoisotopic Mass | 228.053 Da |
| Topological Polar Surface Area | 69.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 265.000 |
| 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 |