Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% 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(=CC=C1C2=CC(=NC=C2)C3=NC=CC(=C3)C4=CC=C(C=C4)C(=O)O)C(=O)O |
|---|---|
| IUPAC Name | 4-[2-[4-(4-carboxyphenyl)pyridin-2-yl]pyridin-4-yl]benzoic acid |
| InChIKey | VUDNLKPOONKNTD-UHFFFAOYSA-N |
| INCHI | 1S/C24H16N2O4/c27-23(28)17-5-1-15(2-6-17)19-9-11-25-21(13-19)22-14-20(10-12-26-22)16-3-7-18(8-4-16)24(29)30/h1-14H,(H,27,28)(H,29,30) |
| Isomeric SMILES | C1=CC(=CC=C1C2=CC(=NC=C2)C3=NC=CC(=C3)C4=CC=C(C=C4)C(=O)O)C(=O)O |
| Molecular Weight | 396.39 |
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 | Bipyridines and oligopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bipyridines and oligopyridines |
| Alternative Parents | Phenylpyridines Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Bipyridine - 4-phenylpyridine - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. |
| External Descriptors | Not available |
| Sensitivity | moisture sensitive |
|---|---|
| Molecular Weight | 396.400 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 396.111 Da |
| Monoisotopic Mass | 396.111 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 544.000 |
| 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 |