5V0
Summary
| Name: | 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid |
| Formula: | C12 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O3/c15-12(16)9-3-4-14-10(6-9)7-13-8-11-2-1-5-17-11/h1-6,13H,7-8H2,(H,15,16) |
| InChIKey | InChI | 1.03 | WAXTXDDUSDCZNA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccnc(CNCc2occc2)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccnc(CNCc2occc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(oc1)CNCc2cc(ccn2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(oc1)CNCc2cc(ccn2)C(=O)O |
