CQZ
Summary
| Name: | 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid |
| Formula: | C9 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 196.203 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14) |
| InChIKey | InChI | 1.03 | FWYOTGNTHMHGFK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCNc1cc(ccn1)C(O)=O |
| SMILES | CACTVS | 3.385 | OCCCNc1cc(ccn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(cc1C(=O)O)NCCCO |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(cc1C(=O)O)NCCCO |
