39L
Summary
| Name: | [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) |
| Formula: | C9 H11 F N2 O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 324.139 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) |
| OpenEye OEToolkits | 1.7.6 | (1-fluoranyl-2-imidazo[1,2-a]pyridin-3-yl-1-phosphono-ethyl)phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(F)(P(=O)(O)O)Cc1cnc2ccccn12 |
| InChI | InChI | 1.03 | InChI=1S/C9H11FN2O6P2/c10-9(19(13,14)15,20(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6H,5H2,(H2,13,14,15)(H2,16,17,18) |
| InChIKey | InChI | 1.03 | MGBVLKIPHVCMLV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)C(F)(Cc1cnc2ccccn12)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)C(F)(Cc1cnc2ccccn12)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O |
