2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine
TL;DR: 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine (CAS 91618-22-3) is a chemical compound with molecular formula C12H6ClF3N2O3 and molecular weight 318.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(4-nitrophenoxy)-5-(trifluoromethyl)pyridine
Also Known As: 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine, 3-chloro-2-(4-nitrophenoxy)-5-(trifluoromethyl)pyridine, 3-Cyan-5-(pyrid-4-yl)pyridin, 2-(4-nitrophenoxy)-3-chloro-5-(trifluoromethyl)pyridine, 2-(4-nitrophenoxy)-3-chloro-5-trifluoromethylpyridine
| Molecular Formula | C12H6ClF3N2O3 |
|---|---|
| Molecular Weight | 318.00 g/mol |
| LogP | 4.4543 |
| Topological Polar Surface Area | 65.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0019 |
| Heavy Atoms | 21 |
| Complexity | 674.4381 |
Chemical Identifiers
| CAS Number | 91618-22-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine (CAS 91618-22-3), with molecular formula C12H6ClF3N2O3 and molecular weight 318.00 g/mol. IUPAC: 3-chloro-2-(4-nitrophenoxy)-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine
Property Insights of 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine
The XLogP value of 4.4543 indicates that 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine. Following Lipinski's Rule of Five, 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine 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 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine?
The CAS number of 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine is 91618-22-3.
What is the molecular formula of 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine?
The molecular formula of 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine is C12H6ClF3N2O3.
What is the molecular weight of 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine?
The molecular weight of 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine is 318.00 g/mol.
Where can I buy 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine?
You can request a quote for 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenoxy)-3-chloro-5-trifluoromethyl pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.