C8K
Summary
| Name: | ~{N}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide |
| Formula: | C14 H10 Br F N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 353.143 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H10BrFN2O3/c15-9-4-10(16)13(17-6-9)14(19)18-5-8-1-2-11-12(3-8)21-7-20-11/h1-4,6H,5,7H2,(H,18,19) |
| InChIKey | InChI | 1.03 | NBPWKDCTKUAUCU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(Br)cnc1C(=O)NCc2ccc3OCOc3c2 |
| SMILES | CACTVS | 3.385 | Fc1cc(Br)cnc1C(=O)NCc2ccc3OCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1CNC(=O)c3c(cc(cn3)Br)F)OCO2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1CNC(=O)c3c(cc(cn3)Br)F)OCO2 |
