≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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=CNC=C(C1=O)C=O |
|---|---|
| IUPAC Name | 4-oxo-1H-pyridine-3-carbaldehyde |
| InChIKey | IYPSYYLXHFGFPC-UHFFFAOYSA-N |
| INCHI | 1S/C6H5NO2/c8-4-5-3-7-2-1-6(5)9/h1-4H,(H,7,9) |
| Isomeric SMILES | C1=CNC=C(C1=O)C=O |
| PubChem CID | 5325461 |
| Molecular Weight | 123.11 |
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 | Pyridine carboxaldehydes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridine carboxaldehydes |
| Alternative Parents | Dihydropyridines Aryl-aldehydes Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-pyridine carboxaldehyde - Dihydropyridine - Aryl-aldehyde - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Azacycle - Aldehyde - 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 pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group. |
| External Descriptors | Not available |
| Molecular Weight | 123.110 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 123.032 Da |
| Monoisotopic Mass | 123.032 Da |
| Topological Polar Surface Area | 46.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 203.000 |
| 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 |
L2517334