TL;DR: 3-(1,3,2-Dioxaborinan-2-yl)pyridine (CAS 131534-65-1) is a chemical compound with molecular formula C8H10BNO2 and molecular weight 163.08046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3,2-dioxaborinan-2-yl)pyridine
Also Known As: 3-(1,3,2-dioxaborinan-2-yl)pyridine, akos brn-0201, 3-Pyridyltrimethylene borate, 3-Pyridyltrimethyleneborate, 1,3-propanediol cyclic ester
| Molecular Formula | C8H10BNO2 |
| Molecular Weight | 163.08046 g/mol |
| XLogP | 0.2137 |
| Topological Polar Surface Area (TPSA) | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.08046 Da |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
| SMILES | B1(OCCCO1)C2=CN=CC=C2 |
| InChIKey | ZUUZNOFTKGDLLN-UHFFFAOYSA-N |
The XLogP value of 0.2137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3,2-Dioxaborinan-2-yl)pyridine. With a topological polar surface area (TPSA) of 31.4 Ų, 3-(1,3,2-Dioxaborinan-2-yl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3,2-Dioxaborinan-2-yl)pyridine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(1,3,2-Dioxaborinan-2-yl)pyridine is 131534-65-1.
The molecular formula of 3-(1,3,2-Dioxaborinan-2-yl)pyridine is C8H10BNO2.
The molecular weight of 3-(1,3,2-Dioxaborinan-2-yl)pyridine is 163.08046 g/mol.
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