3-(2-Pyridinyl)-5-isoxazolemethanol
TL;DR: 3-(2-Pyridinyl)-5-isoxazolemethanol (CAS 158840-78-9) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-pyridin-2-yl-1,2-oxazol-5-yl)methanol
Also Known As: 3-(2-pyridinyl)-5-isoxazolemethanol, 3-(pyridin-2-yl)-5-hydroxymethylisoxazole, (3-(Pyridin-2-yl)isoxazol-5-yl)methanol, (3-(2-pyridyl)isoxazol-5-yl)methan-1-ol, (3-pyridin-2-yl-1,2-oxazol-5-yl)methanol
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.05858 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.05858 Da |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
| SMILES | C1=CC=NC(=C1)C2=NOC(=C2)CO |
| InChIKey | XDNGMMUZVUCMJZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Pyridinyl)-5-isoxazolemethanol
Property Insights of 3-(2-Pyridinyl)-5-isoxazolemethanol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Pyridinyl)-5-isoxazolemethanol. With a topological polar surface area (TPSA) of 59.2 Ų, 3-(2-Pyridinyl)-5-isoxazolemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Pyridinyl)-5-isoxazolemethanol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Pyridinyl)-5-isoxazolemethanol?
The CAS number of 3-(2-Pyridinyl)-5-isoxazolemethanol is 158840-78-9.
What is the molecular formula of 3-(2-Pyridinyl)-5-isoxazolemethanol?
The molecular formula of 3-(2-Pyridinyl)-5-isoxazolemethanol is C9H8N2O2.
What is the molecular weight of 3-(2-Pyridinyl)-5-isoxazolemethanol?
The molecular weight of 3-(2-Pyridinyl)-5-isoxazolemethanol is 176.05858 g/mol.
Where can I buy 3-(2-Pyridinyl)-5-isoxazolemethanol?
You can request a quote for 3-(2-Pyridinyl)-5-isoxazolemethanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Pyridinyl)-5-isoxazolemethanol?
Yes, CoreyChem provides custom synthesis services for 3-(2-Pyridinyl)-5-isoxazolemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.