| Canonical Smiles | C1=C(C=NC(=C1F)OC(F)(F)F)Br |
|---|---|
| IUPAC Name | 5-bromo-3-fluoro-2-(trifluoromethoxy)pyridine |
| InChIKey | YSTFAASXGKFLQW-UHFFFAOYSA-N |
| INCHI | 1S/C6H2BrF4NO/c7-3-1-4(8)5(12-2-3)13-6(9,10)11/h1-2H |
| Molecular Weight | 259.98 |
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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 | Aryl fluorides Aryl bromides Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Trihalomethane - Azacycle - Alkyl fluoride - Halomethane - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - 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 | 259.980 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 258.926 Da |
| Monoisotopic Mass | 258.926 Da |
| Topological Polar Surface Area | 22.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 177.000 |
| 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 |
