3B8
Summary
| Name: | 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide |
| Synonyms: | 2-Amino-6-fluoro-10-oxo-10H-9-oxa-1-aza-anthracene-3-carboxylic acid amide |
| Formula: | C13 H8 F N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 273.219 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 2-amino-7-fluoro-5-oxo-chromeno[3,2-e]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc2cc1C(=O)c3cc(c(nc3Oc1cc2)N)C(=O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1cc2C(=O)c3cc(F)ccc3Oc2nc1N |
| SMILES | CACTVS | 3.341 | NC(=O)c1cc2C(=O)c3cc(F)ccc3Oc2nc1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H8FN3O3/c14-5-1-2-9-6(3-5)10(18)7-4-8(12(16)19)11(15)17-13(7)20-9/h1-4H,(H2,15,17)(H2,16,19) |
| InChIKey | InChI | 1.03 | GCHMLYYPYFXLQB-UHFFFAOYSA-N |
