1BY
Summary
| Name: | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) |
| Formula: | C7 H12 N2 O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 282.128 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid) |
| OpenEye OEToolkits | 1.5.0 | [1-phosphono-2-(pyridin-2-ylamino)ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(CNc1ncccc1)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)C(CNc1ccccn1)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)C(CNc1ccccn1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15) |
| InChIKey | InChI | 1.03 | BHVCADPDEFLLGM-UHFFFAOYSA-N |
