6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile
TL;DR: 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile (CAS 159981-18-7) is a chemical compound with molecular formula C8H5F3N2O and molecular weight 202.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2,2,2-trifluoroethoxy)pyridine-3-carbonitrile
Also Known As: 6-(2,2,2-Trifluoroethoxy)nicotinonitrile, 6-(2,2,2-trifluoroethoxy)pyridine-3-carbonitrile, Maybridge3_007168, 2-(2,2,2-Trifluoroethoxy)pyridine-5-carbonitrile, 6-(2,2,2-trifluoro-ethoxy)-nicotinonitrile
Technical Specifications
| Molecular Formula | C8H5F3N2O |
| Molecular Weight | 202.0354 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.0354 Da |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
| SMILES | C1=CC(=NC=C1C#N)OCC(F)(F)F |
| InChIKey | JCCWYJAWPPUERF-UHFFFAOYSA-N |
Chemical Property Profile of 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile
Property Insights of 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 45.9 Ų, 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile?
The CAS number of 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile is 159981-18-7.
What is the molecular formula of 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile?
The molecular formula of 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile is C8H5F3N2O.
What is the molecular weight of 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile?
The molecular weight of 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile is 202.0354 g/mol.
Where can I buy 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile?
You can request a quote for 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.