2-Ethynyl-4-(trifluoromethyl)pyridine
TL;DR: 2-Ethynyl-4-(trifluoromethyl)pyridine (CAS 1779136-45-6) is a chemical compound with molecular formula C8H4F3N and molecular weight 171.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethynyl-4-(trifluoromethyl)pyridine
Also Known As: 2-ethynyl-4-(trifluoromethyl)pyridine, 2-ethynyl-4-trifluoromethyl-pyridine, Pyridine, 2-ethynyl-4-(trifluoromethyl)-, 3-(3,3-Difluoroazetidin-1-yl)-4-nitropyridine, Benzenesulfonamide,3-amino-2-hydroxy-N,N-dimethyl
| Molecular Formula | C8H4F3N |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | 2.0817 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.02959 |
| Heavy Atoms | 12 |
| Complexity | 321.81024 |
Chemical Identifiers
| CAS Number | 1779136-45-6 |
|---|---|
| SMILES | C#CC1=NC=CC(=C1)C(F)(F)F |
Product Overview
2-Ethynyl-4-(trifluoromethyl)pyridine (CAS 1779136-45-6), with molecular formula C8H4F3N and molecular weight 171.03 g/mol. IUPAC: 2-ethynyl-4-(trifluoromethyl)pyridine.
Chemical Property Profile of 2-Ethynyl-4-(trifluoromethyl)pyridine
Property Insights of 2-Ethynyl-4-(trifluoromethyl)pyridine
The XLogP value of 2.0817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethynyl-4-(trifluoromethyl)pyridine. With a topological polar surface area (TPSA) of 12.89 Ų, 2-Ethynyl-4-(trifluoromethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethynyl-4-(trifluoromethyl)pyridine has 0 hydrogen bond donor(s) and 1 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-Ethynyl-4-(trifluoromethyl)pyridine?
The CAS number of 2-Ethynyl-4-(trifluoromethyl)pyridine is 1779136-45-6.
What is the molecular formula of 2-Ethynyl-4-(trifluoromethyl)pyridine?
The molecular formula of 2-Ethynyl-4-(trifluoromethyl)pyridine is C8H4F3N.
What is the molecular weight of 2-Ethynyl-4-(trifluoromethyl)pyridine?
The molecular weight of 2-Ethynyl-4-(trifluoromethyl)pyridine is 171.03 g/mol.
Where can I buy 2-Ethynyl-4-(trifluoromethyl)pyridine?
You can request a quote for 2-Ethynyl-4-(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-Ethynyl-4-(trifluoromethyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethynyl-4-(trifluoromethyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.