SYD
Summary
| Name: | [(5-phenylpyridin-2-yl)methyl]phosphonic acid |
| Formula: | C12 H12 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 249.202 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(5-phenylpyridin-2-yl)methyl]phosphonic acid |
| OpenEye OEToolkits | 1.7.0 | (5-phenylpyridin-2-yl)methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)Cc1ncc(cc1)c2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)Cc1ccc(cn1)c2ccccc2 |
| SMILES | CACTVS | 3.370 | O[P](O)(=O)Cc1ccc(cn1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H12NO3P/c14-17(15,16)9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15,16) |
| InChIKey | InChI | 1.03 | JTYLHYFDHHMHKD-UHFFFAOYSA-N |
