TL;DR: 1-(5-Bromo-pyridine-3-carbonyl)-pyrrolidine-2-carboxylic acid (CAS 144230-52-4) is a chemical compound with molecular formula C11H11BrN2O3 and molecular weight 297.9953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
Also Known As: (5-Bromonicotinoyl)proline, CBKinase1_000754, CBKinase1_013154, 1-(5-Bromo-pyridine-3-carbonyl)-pyrrolidine-2-carboxylic acid, 1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C11H11BrN2O3 |
| Molecular Weight | 297.9953 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.9953 Da |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
| SMILES | C1CC(N(C1)C(=O)C2=CC(=CN=C2)Br)C(=O)O |
| InChIKey | UHULSHPYMBDAHB-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Bromo-pyridine-3-carbonyl)-pyrrolidine-2-carboxylic acid. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Bromo-pyridine-3-carbonyl)-pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(5-Bromo-pyridine-3-carbonyl)-pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(5-Bromo-pyridine-3-carbonyl)-pyrrolidine-2-carboxylic acid is 144230-52-4.
The molecular formula of 1-(5-Bromo-pyridine-3-carbonyl)-pyrrolidine-2-carboxylic acid is C11H11BrN2O3.
The molecular weight of 1-(5-Bromo-pyridine-3-carbonyl)-pyrrolidine-2-carboxylic acid is 297.9953 g/mol.
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