A1AS4
Summary
| Name: | [2-(iminomethyl)pyridin-3-yl]boronic acid |
| Formula: | C6 H7 B N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 149.943 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-(iminomethyl)pyridin-3-yl]boronic acid |
| OpenEye OEToolkits | 2.0.7 | [2-(iminomethyl)pyridin-3-yl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N=Cc1ncccc1B(O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H7BN2O2/c8-4-6-5(7(10)11)2-1-3-9-6/h1-4,8,10-11H/b8-4+ |
| InChIKey | InChI | 1.06 | JZTVZSLWTFBPJZ-XBXARRHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1cccnc1C=N |
| SMILES | CACTVS | 3.385 | OB(O)c1cccnc1C=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C/c1c(cccn1)B(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1cccnc1C=N)(O)O |
