5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine
TL;DR: 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine (CAS 72617-81-3) is a chemical compound with molecular formula C7H5F3N2O3 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
Also Known As: 5-nitro-2-(2,2,2-trifluoroethoxy)pyridine, 5-Nitro-2-(2,2,2-trifluoro-ethoxy)-pyridine, 3282AJ, 2-(2,2,2-Trifluoroethoxy)-5-Nitropyridine, 5-Nitro-2-[2,2,2-trifluoroethoxy]pyridine
| Molecular Formula | C7H5F3N2O3 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.02522 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 72617-81-3 |
|---|---|
| SMILES | C1=CC(=NC=C1[N+](=O)[O-])OCC(F)(F)F |
| InChIKey | INIFPOGCBCXTPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine (CAS 72617-81-3), with molecular formula C7H5F3N2O3 and molecular weight 222.03 g/mol. IUPAC: 5-nitro-2-(2,2,2-trifluoroethoxy)pyridine.
Chemical Property Profile of 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine
Property Insights of 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine. Following Lipinski's Rule of Five, 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine has 0 hydrogen bond donor(s) and 7 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 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The CAS number of 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine is 72617-81-3.
What is the molecular formula of 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The molecular formula of 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine is C7H5F3N2O3.
What is the molecular weight of 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The molecular weight of 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine is 222.03 g/mol.
Where can I buy 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine?
You can request a quote for 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-(2,2,2-trifluoroethoxy)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.