A1BQ3
Summary
| Name: | 5-fluoro-1-methyl-1H-indazole-3-carboxamide |
| Formula: | C9 H8 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 193.178 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-fluoro-1-methyl-1H-indazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-fluoranyl-1-methyl-indazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)c1nn(C)c2ccc(F)cc21 |
| InChI | InChI | 1.06 | InChI=1S/C9H8FN3O/c1-13-7-3-2-5(10)4-6(7)8(12-13)9(11)14/h2-4H,1H3,(H2,11,14) |
| InChIKey | InChI | 1.06 | GDGNASXSZYDGJM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C(N)=O)c2cc(F)ccc12 |
| SMILES | CACTVS | 3.385 | Cn1nc(C(N)=O)c2cc(F)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccc(cc2c(n1)C(=O)N)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccc(cc2c(n1)C(=O)N)F |
