TL;DR: 4-Pyridineethanol, 3-ethenyl-5-(hydroxymethyl)- (CAS 16543-90-1) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-ethenyl-5-(hydroxymethyl)-4-pyridinyl]ethanol
Also Known As: Gentiadol, 4-Pyridineethanol, 3-ethenyl-5-(hydroxymethyl)-, 3-Ethenyl-5-(hydroxymethyl)-4-pyridineethanol, 3-Hydroxymethyl-4-hydroxyethyl-5-vinylpyridine, 4-Pyridineethanol, 3-(hydroxymethyl)-5-vinyl-
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.09464 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.09464 Da |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
| SMILES | C=CC1=C(C(=CN=C1)CO)CCO |
| InChIKey | DNLMXRFMBPCFBP-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridineethanol, 3-ethenyl-5-(hydroxymethyl)-. With a topological polar surface area (TPSA) of 53.4 Ų, 4-Pyridineethanol, 3-ethenyl-5-(hydroxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridineethanol, 3-ethenyl-5-(hydroxymethyl)- has 2 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-Pyridineethanol, 3-ethenyl-5-(hydroxymethyl)- is 16543-90-1.
The molecular formula of 4-Pyridineethanol, 3-ethenyl-5-(hydroxymethyl)- is C10H13NO2.
The molecular weight of 4-Pyridineethanol, 3-ethenyl-5-(hydroxymethyl)- is 179.09464 g/mol.
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