5-BROMOIMAZAPYR
5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Also Known As: 5-BROMOIMAZAPYR|3-Pyridinecarboxylic acid, 5-bromo-2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-|5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic Acid|5-Bromo-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid
| Molecular Formula | C13H14BrN3O3 |
|---|---|
| Molecular Weight | 339.02185 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.02185 |
| Monoisotopic Mass | 339.02185 |
| Heavy Atoms | 20 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 81335-08-2 |
|---|---|
| SMILES | CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)Br)C(=O)O)C |
| InChIKey | LHFKLAXWQGHVIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-BROMOIMAZAPYR (CAS 81335-08-2), with molecular formula C13H14BrN3O3 and molecular weight 339.02185 g/mol. IUPAC: 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.
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