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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(C(=NC(=C1I)Br)Br)O |
|---|---|
| IUPAC Name | 2,6-dibromo-5-iodopyridin-3-ol |
| InChIKey | ROFLBQPJOBJFTH-UHFFFAOYSA-N |
| INCHI | 1S/C5H2Br2INO/c6-4-2(8)1-3(10)5(7)9-4/h1,10H |
| Isomeric SMILES | C1=C(C(=NC(=C1I)Br)Br)O |
| WGK Germany | 3 |
| PubChem CID | 46736742 |
| Molecular Weight | 378.8 |
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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 | Hydroxypyridines 2-halopyridines Aryl iodides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - Hydroxypyridine - 2-halopyridine - Aryl bromide - Aryl iodide - Aryl halide - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - 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 | 378.790 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 378.753 Da |
| Monoisotopic Mass | 376.755 Da |
| Topological Polar Surface Area | 33.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| 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 |