HRF
Summary
| Name: | 5-(benzylamino)pyridine-2,4-dicarboxylic acid |
| Formula: | C14 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 272.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(phenylmethyl)amino]pyridine-2,4-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N2O4/c17-13(18)10-6-11(14(19)20)16-8-12(10)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | FQCUGQSKLCNUQT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O |
