TL;DR: 1-(4-Chloro-2,6-dinitrophenyl)pyrrolidine (CAS 10156-54-4) is a chemical compound with molecular formula C10H10ClN3O4 and molecular weight 271.03598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chloro-2,6-dinitrophenyl)pyrrolidine
Also Known As: 1-(4-chloro-2,6-dinitrophenyl)pyrrolidine, 1-(4-chloro-2,6-dinitro-phenyl)-pyrrolidine
| Molecular Formula | C10H10ClN3O4 |
| Molecular Weight | 271.03598 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.03598 Da |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
| SMILES | C1CCN(C1)C2=C(C=C(C=C2[N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | PMKSXMWOMOLOFQ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-2,6-dinitrophenyl)pyrrolidine. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-2,6-dinitrophenyl)pyrrolidine. Following Lipinski's Rule of Five, 1-(4-Chloro-2,6-dinitrophenyl)pyrrolidine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Chloro-2,6-dinitrophenyl)pyrrolidine is 10156-54-4.
The molecular formula of 1-(4-Chloro-2,6-dinitrophenyl)pyrrolidine is C10H10ClN3O4.
The molecular weight of 1-(4-Chloro-2,6-dinitrophenyl)pyrrolidine is 271.03598 g/mol.
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