| Canonical Smiles | C1=C(C(=CN=C1Br)F)Cl |
|---|---|
| IUPAC Name | 2-bromo-4-chloro-5-fluoropyridine |
| InChIKey | HLUPMKHZIRJTHT-UHFFFAOYSA-N |
| INCHI | 1S/C5H2BrClFN/c6-5-1-3(7)4(8)2-9-5/h1-2H |
| Isomeric SMILES | C1=C(C(=CN=C1Br)F)Cl |
| Molecular Weight | 210.43 |
| Reaxy-Rn | 37891416 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37891416&ln= |
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 | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polyhalopyridines |
| Alternative Parents | 2-halopyridines Aryl fluorides Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azacycle - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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 | 210.430 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 208.904 Da |
| Monoisotopic Mass | 208.904 Da |
| Topological Polar Surface Area | 12.900 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 103.000 |
| 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 |
