TL;DR: (2E)-3-(3-Pyridinyl)-2-propen-1-ol (CAS 107504-08-5) is a chemical compound with molecular formula C8H9NO and molecular weight 135.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-pyridin-3-ylprop-2-en-1-ol
Also Known As: 3-(3-PYRIDYL)-2-PROPEN-1-OL, (E)-3-(Pyridin-3-yl)prop-2-en-1-ol, 3-(PYRIDIN-3-YL)PROP-2-EN-1-OL, 3-(3-Pyridyl)allyl Alcohol, (E)-3-pyridin-3-ylprop-2-en-1-ol
| Molecular Formula | C8H9NO |
| Molecular Weight | 135.06842 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.06842 Da |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
| SMILES | C1=CC(=CN=C1)/C=C/CO |
| InChIKey | RSFCHWDTMRVOJD-DUXPYHPUSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(3-Pyridinyl)-2-propen-1-ol. With a topological polar surface area (TPSA) of 33.1 Ų, (2E)-3-(3-Pyridinyl)-2-propen-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(3-Pyridinyl)-2-propen-1-ol has 1 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 (2E)-3-(3-Pyridinyl)-2-propen-1-ol is 107504-08-5.
The molecular formula of (2E)-3-(3-Pyridinyl)-2-propen-1-ol is C8H9NO.
The molecular weight of (2E)-3-(3-Pyridinyl)-2-propen-1-ol is 135.06842 g/mol.
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