| Canonical Smiles | C1=CC2=C(C=C(C=C2Br)F)N=C1 |
|---|---|
| IUPAC Name | 5-bromo-7-fluoroquinoline |
| InChIKey | KIRTXFHNXXGJLP-UHFFFAOYSA-N |
| INCHI | 1S/C9H5BrFN/c10-8-4-6(11)5-9-7(8)2-1-3-12-9/h1-5H |
| Isomeric SMILES | C1=CC2=C(C=C(C=C2Br)F)N=C1 |
| PubChem CID | 68755221 |
| Molecular Weight | 226.04 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Haloquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Haloquinolines |
| Alternative Parents | Pyridines and derivatives Benzenoids Heteroaromatic compounds Vinyl fluorides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Bromoalkenes Azacyclic compounds Aldimines Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Haloquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Fluoroalkene - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Vinyl bromide - Aldimine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Imine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 226.040 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 224.959 Da |
| Monoisotopic Mass | 224.959 Da |
| Topological Polar Surface Area | 12.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 165.000 |
| 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 |
