PMC
Summary
| Name: | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID |
| Formula: | C7 H8 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 217.116 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(phosphonomethyl)pyridine-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(phosphonomethyl)pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1ncccc1CP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ncccc1C[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)c1ncccc1C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(nc1)C(=O)O)CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(nc1)C(=O)O)CP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H8NO5P/c9-7(10)6-5(2-1-3-8-6)4-14(11,12)13/h1-3H,4H2,(H,9,10)(H2,11,12,13) |
| InChIKey | InChI | 1.03 | ROSWJUKEABEPFJ-UHFFFAOYSA-N |
