TL;DR: 4-[2-(4-Methoxyphenyl)ethynyl]pyridine (CAS 13295-95-9) is a chemical compound with molecular formula C14H11NO and molecular weight 209.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(4-methoxyphenyl)ethynyl]pyridine
Also Known As: 4-[2-(4-methoxyphenyl)ethynyl]pyridine, pyridine, 4-p-methoxyphenylethynyl-, 4-((4-methoxyphenyl)ethynyl)pyridine, 4-(4-Methoxy-phenylethynyl)-pyridine, 4-[(4-Methoxyphenyl)ethynyl]pyridine
| Molecular Formula | C14H11NO |
| Molecular Weight | 209.08406 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08406 Da |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
| SMILES | COC1=CC=C(C=C1)C#CC2=CC=NC=C2 |
| InChIKey | YLGABGCTQMOWDL-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(4-Methoxyphenyl)ethynyl]pyridine. With a topological polar surface area (TPSA) of 22.1 Ų, 4-[2-(4-Methoxyphenyl)ethynyl]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(4-Methoxyphenyl)ethynyl]pyridine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[2-(4-Methoxyphenyl)ethynyl]pyridine is 13295-95-9.
The molecular formula of 4-[2-(4-Methoxyphenyl)ethynyl]pyridine is C14H11NO.
The molecular weight of 4-[2-(4-Methoxyphenyl)ethynyl]pyridine is 209.08406 g/mol.
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