2NW
Summary
| Name: | 3-bromoquinolin-4-amine |
| Formula: | C9 H7 Br N2 |
| Formal charge: | 0 |
| Formula weight: | 223.069 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-bromoquinolin-4-amine |
| OpenEye OEToolkits | 1.7.6 | 3-bromanylquinolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1c(c2ccccc2nc1)N |
| InChI | InChI | 1.03 | InChI=1S/C9H7BrN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12) |
| InChIKey | InChI | 1.03 | TYGUEEGQSYNEHB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c(Br)cnc2ccccc12 |
| SMILES | CACTVS | 3.385 | Nc1c(Br)cnc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c(cn2)Br)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c(cn2)Br)N |
