4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile
TL;DR: 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile (CAS 247113-91-3) is a chemical compound with molecular formula C13H7F3N2O and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
Also Known As: 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile, 2-(4-Cyanophenoxy)-5-(trifluoromethyl)pyridine, IOSIMIDE, Maybridge1_008624, BUTTPARK 43\57-99
| Molecular Formula | C13H7F3N2O |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.05106 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 247113-91-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OC2=NC=C(C=C2)C(F)(F)F |
| InChIKey | IPRJCIVGKWLASQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile (CAS 247113-91-3), with molecular formula C13H7F3N2O and molecular weight 264.05 g/mol. IUPAC: 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile.
Chemical Property Profile of 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile
Property Insights of 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile. With a topological polar surface area (TPSA) of 45.9 Ų, 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile 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
Frequently Asked Questions
What is the CAS number of 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile?
The CAS number of 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile is 247113-91-3.
What is the molecular formula of 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile?
The molecular formula of 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile is C13H7F3N2O.
What is the molecular weight of 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile?
The molecular weight of 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile is 264.05 g/mol.
Where can I buy 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile?
You can request a quote for 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.