3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile
TL;DR: 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile (CAS 338960-02-4) is a chemical compound with molecular formula C13H5Cl2F3N2O and molecular weight 331.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dichlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile
Also Known As: 5L-045, 3-(3,5-dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile, 3-(3,5-dichlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile
| Molecular Formula | C13H5Cl2F3N2O |
|---|---|
| Molecular Weight | 331.97 g/mol |
| LogP | 5.07118 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.9731 |
| Heavy Atoms | 21 |
| Complexity | 706.0819 |
Chemical Identifiers
| CAS Number | 338960-02-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1Cl)Cl)OC2=C(N=CC(=C2)C(F)(F)F)C#N |
Product Overview
3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile (CAS 338960-02-4), with molecular formula C13H5Cl2F3N2O and molecular weight 331.97 g/mol. IUPAC: 3-(3,5-dichlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile.
Chemical Property Profile of 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile
Property Insights of 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile
The XLogP value of 5.07118 indicates that 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The CAS number of 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile is 338960-02-4.
What is the molecular formula of 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The molecular formula of 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile is C13H5Cl2F3N2O.
What is the molecular weight of 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The molecular weight of 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile is 331.97 g/mol.
Where can I buy 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile?
You can request a quote for 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.