SX2
Summary
| Name: | 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid |
| Formula: | C9 H9 Br N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 273.083 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-[(5-bromopyridin-2-yl)amino]-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ncc(Br)cc1)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCC(=O)Nc1ccc(Br)cn1 |
| SMILES | CACTVS | 3.341 | OC(=O)CCC(=O)Nc1ccc(Br)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ncc1Br)NC(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ncc1Br)NC(=O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13) |
| InChIKey | InChI | 1.03 | XFYYQDHEDOXWGA-UHFFFAOYSA-N |
