TL;DR: 1-(4-Chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid (CAS 167868-27-1) is a chemical compound with molecular formula C11H11ClN2O3 and molecular weight 254.04582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
Also Known As: NCI60_028079, 1-((4-Chloro-2-pyridinyl)carbonyl)proline, 1-[(4-CHLORO-2-PYRIDINYL)CARBONYL]PROLINE, 1-(4-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C11H11ClN2O3 |
| Molecular Weight | 254.04582 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.04582 Da |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
| SMILES | C1CC(N(C1)C(=O)C2=NC=CC(=C2)Cl)C(=O)O |
| InChIKey | QHXNBROGMFPGNU-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-Chloropyridine-2-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-(4-Chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid is 167868-27-1.
The molecular formula of 1-(4-Chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid is C11H11ClN2O3.
The molecular weight of 1-(4-Chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid is 254.04582 g/mol.
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