≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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 | 488199276 |
|---|---|
| Canonical Smiles | COC(=O)C1=CC=CC(=C1)C2=CC=CC(=N2)C=O |
| IUPAC Name | methyl 3-(6-formylpyridin-2-yl)benzoate |
| InChIKey | JDCVVFJRIBJMGT-UHFFFAOYSA-N |
| INCHI | 1S/C14H11NO3/c1-18-14(17)11-5-2-4-10(8-11)13-7-3-6-12(9-16)15-13/h2-9H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC=CC(=C1)C2=CC=CC(=N2)C=O |
| WGK Germany | 3 |
| PubChem CID | 16217972 |
| Molecular Weight | 241.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Benzoic acid esters Pyridine carboxaldehydes Benzoyl derivatives Aryl-aldehydes Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyridine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - 2-pyridine carboxaldehyde - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Melt Point(°C) | 83-86 °C |
|---|---|
| Molecular Weight | 241.240 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 241.074 Da |
| Monoisotopic Mass | 241.074 Da |
| Topological Polar Surface Area | 56.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 305.000 |
| 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 |
B2316171