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| IUPAC Name: | 6-bromo-2H-isoquinolin-1-one |
| Description: | 6-Bromo-2H-isoquinolin-1-one was used as a reagent in the fragment-based discovery of ROCK-I inhibitors derived from 6-substituted isoquinolin-1-amine and also used in the discovery of novel isoquinolone PDK1 inhibitors which offer a potentially new therapeutic modality for cancer treatment. |
| Molecular Weight: | 224.05 |
| Molecular Formula: | C9H6BrNO |
| Canonical SMILES: | C1=CC2=C(C=CNC2=O)C=C1Br |
| InChI: | InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12) |
| InChI Key: | ZDYXSEQHOVSTPA-UHFFFAOYSA-N |
| Boiling Point: | 442.634 ℃ at 760 mmHg |
| Density: | 1.62 g/cm3 |
| MDL: | MFCD07374394 |
| LogP: | 2.29060 |
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