| Canonicalized Compound | 1 |
| Compound Complexity | 165 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Allowed IUPAC Name | 1-(5-bromo-6-fluoro-3-pyridyl)ethanone |
| CAS-like Style IUPAC Name | 1-(5-bromo-6-fluoro-3-pyridinyl)ethanone |
| Markup IUPAC Name | 1-(5-bromo-6-fluoropyridin-3-yl)ethanone |
| Preferred IUPAC Name | 1-(5-bromo-6-fluoropyridin-3-yl)ethanone |
| Systematic IUPAC Name | 1-(5-bromanyl-6-fluoranyl-pyridin-3-yl)ethanone |
| Traditional IUPAC Name | 1-(5-bromo-6-fluoro-3-pyridyl)ethanone |
| Standard InChI | InChI=1S/C7H5BrFNO/c1-4(11)5-2-6(8)7(9)10-3-5/h2-3H,1H3 |
| Standard InChIKey | MPOPKKNVDNMPBH-UHFFFAOYSA-N |
| XLogP3-AA Log P | 1.7 |
| Exact Mass | 216.95385 |
| Molecular Weight | 218.02 |
| Canonical SMILES | CC(=O)C1=CC(=C(N=C1)F)Br |
| Isomeric SMILES | CC(=O)C1=CC(=C(N=C1)F)Br |
| Polar Surface Area Topological | 30 |
| MonoIsotopic Weight | 216.95385 |
| Molecular Formula | C7H5BrFNO |
| Chemical Structure |  |
| Class | Specialty Materials |
