≥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.
| Canonical Smiles | C1=C(NC=C(C1=O)I)Cl |
|---|---|
| IUPAC Name | 2-chloro-5-iodo-1H-pyridin-4-one |
| InChIKey | XTJOJBYGTOMUCD-UHFFFAOYSA-N |
| INCHI | 1S/C5H3ClINO/c6-5-1-4(9)3(7)2-8-5/h1-2H,(H,8,9) |
| Isomeric SMILES | C1=C(NC=C(C1=O)I)Cl |
| PubChem CID | 58053654 |
| Molecular Weight | 255.44 |
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 | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polyhalopyridines |
| Alternative Parents | Dihydropyridines 2-halopyridines Alpha-branched alpha,beta-unsaturated ketones Vinylogous halides Vinylogous amides Heteroaromatic compounds Enones Alpha-haloketones Acryloyl compounds Cyclic ketones Vinyl iodides Vinyl chlorides Iodoalkenes Dialkylamines Chloroalkenes Azacyclic compounds Organopnictogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - 2-halopyridine - Dihydropyridine - Alpha-branched alpha,beta-unsaturated-ketone - Alpha-haloketone - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Cyclic ketone - Ketone - Azacycle - Iodoalkene - Chloroalkene - Haloalkene - Vinyl iodide - Vinyl halide - Vinyl chloride - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 255.440 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 254.895 Da |
| Monoisotopic Mass | 254.895 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| 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 |
