3-Pyridinemethanol, 5-fluoro-, acetate
TL;DR: 3-Pyridinemethanol, 5-fluoro-, acetate (CAS 5469-72-7) is a chemical compound with molecular formula C8H8FNO2 and molecular weight 169.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-fluoro-3-pyridinyl)methyl acetate
Also Known As: (5-fluoropyridin-3-yl)methyl acetate, 3-Pyridinemethanol, 5-fluoro-, acetate, 5-Fluoro-3-pyridinemethanol acetate, (5-Fluoro-3-pyridyl)methyl acetate, 5-21-02-00181 (Beilstein Handbook Reference)
| Molecular Formula | C8H8FNO2 |
|---|---|
| Molecular Weight | 169.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.05391 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 5469-72-7 |
|---|---|
| SMILES | CC(=O)OCC1=CC(=CN=C1)F |
| InChIKey | NBPSPDCMZDNUQE-UHFFFAOYSA-N |
Product Overview
3-Pyridinemethanol, 5-fluoro-, acetate (CAS 5469-72-7), with molecular formula C8H8FNO2 and molecular weight 169.05 g/mol. IUPAC: (5-fluoro-3-pyridinyl)methyl acetate.
Chemical Property Profile of 3-Pyridinemethanol, 5-fluoro-, acetate
Property Insights of 3-Pyridinemethanol, 5-fluoro-, acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinemethanol, 5-fluoro-, acetate. With a topological polar surface area (TPSA) of 39.2 Ų, 3-Pyridinemethanol, 5-fluoro-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinemethanol, 5-fluoro-, acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinemethanol, 5-fluoro-, acetate?
The CAS number of 3-Pyridinemethanol, 5-fluoro-, acetate is 5469-72-7.
What is the molecular formula of 3-Pyridinemethanol, 5-fluoro-, acetate?
The molecular formula of 3-Pyridinemethanol, 5-fluoro-, acetate is C8H8FNO2.
What is the molecular weight of 3-Pyridinemethanol, 5-fluoro-, acetate?
The molecular weight of 3-Pyridinemethanol, 5-fluoro-, acetate is 169.05 g/mol.
Where can I buy 3-Pyridinemethanol, 5-fluoro-, acetate?
You can request a quote for 3-Pyridinemethanol, 5-fluoro-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinemethanol, 5-fluoro-, acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinemethanol, 5-fluoro-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.