3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile
TL;DR: 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile (CAS 338791-64-3) is a chemical compound with molecular formula C13H8F3N3O and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile
Also Known As: 3-(3-pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile, 6G-012, 3-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile, 3-[(pyridin-3-yl)methoxy]-5-(trifluoromethyl)pyridine-2-carbonitrile
| Molecular Formula | C13H8F3N3O |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 2.94608 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.06195 |
| Heavy Atoms | 20 |
| Complexity | 635.54504 |
Chemical Identifiers
| CAS Number | 338791-64-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)COC2=C(N=CC(=C2)C(F)(F)F)C#N |
Product Overview
3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile (CAS 338791-64-3), with molecular formula C13H8F3N3O and molecular weight 279.06 g/mol. IUPAC: 3-(pyridin-3-ylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile.
Chemical Property Profile of 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile
Property Insights of 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile
The XLogP value of 2.94608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile. With a topological polar surface area (TPSA) of 58.8 Ų, 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile 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 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The CAS number of 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile is 338791-64-3.
What is the molecular formula of 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The molecular formula of 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile is C13H8F3N3O.
What is the molecular weight of 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The molecular weight of 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile is 279.06 g/mol.
Where can I buy 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile?
You can request a quote for 3-(3-Pyridinylmethoxy)-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-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Pyridinylmethoxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.