TL;DR: 4-(Pyridin-3-yloxy)benzaldehyde (CAS 127107-23-7) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-pyridin-3-yloxybenzaldehyde
Also Known As: 4-(Pyridin-3-yloxy)benzaldehyde, 4-(3-pyridyloxy)benzaldehyde, 4- benzaldehyde, 4-pyridin-3-yloxybenzaldehyde, Benzaldehyde, 4-(3-pyridinyloxy)-
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.06332 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.06332 Da |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
| SMILES | C1=CC(=CN=C1)OC2=CC=C(C=C2)C=O |
| InChIKey | VNZCKMVWWJJZIL-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Pyridin-3-yloxy)benzaldehyde. With a topological polar surface area (TPSA) of 39.2 Ų, 4-(Pyridin-3-yloxy)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Pyridin-3-yloxy)benzaldehyde 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 4-(Pyridin-3-yloxy)benzaldehyde is 127107-23-7.
The molecular formula of 4-(Pyridin-3-yloxy)benzaldehyde is C12H9NO2.
The molecular weight of 4-(Pyridin-3-yloxy)benzaldehyde is 199.06332 g/mol.
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