TL;DR: 3-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine (CAS 145731-84-6) is a chemical compound with molecular formula C13H8BrN3O and molecular weight 300.98508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-bromophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
Also Known As: 3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine, Pyridine, 3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-, 2-(2-bromophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole, 2-(2-bromophenyl)-5-(3-pyridyl)-1,3,4-oxadiazole
| Molecular Formula | C13H8BrN3O |
| Molecular Weight | 300.98508 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.98508 Da |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
| SMILES | C1=CC=C(C(=C1)C2=NN=C(O2)C3=CN=CC=C3)Br |
| InChIKey | CCPYCXAUSQZJHG-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine. With a topological polar surface area (TPSA) of 51.8 Ų, 3-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine has 0 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 3-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine is 145731-84-6.
The molecular formula of 3-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine is C13H8BrN3O.
The molecular weight of 3-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine is 300.98508 g/mol.
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