Y31
Summary
| Name: | 5-bromopyridine-3-carboxylic acid |
| Formula: | C6 H4 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 202.005 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromopyridine-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 5-bromanylpyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(Br)cc(cnc1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10) |
| InChIKey | InChI | 1.03 | FQIUCPGDKPXSLL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cncc(Br)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cncc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cncc1Br)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cncc1Br)C(=O)O |
