1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile (CAS 430473-75-9) is a chemical compound with molecular formula C9H7F3N2O and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile, 2K-318S, 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile, 1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C9H7F3N2O |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.5842 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.05104 |
| Heavy Atoms | 15 |
| Complexity | 493.79474 |
Chemical Identifiers
| CAS Number | 430473-75-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1C)C#N)C(F)(F)F |
Product Overview
1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile (CAS 430473-75-9), with molecular formula C9H7F3N2O and molecular weight 216.05 g/mol. IUPAC: 1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 1.5842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile. With a topological polar surface area (TPSA) of 45.79 Ų, 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile has 0 hydrogen bond donor(s) and 2 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 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is 430473-75-9.
What is the molecular formula of 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is C9H7F3N2O.
What is the molecular weight of 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is 216.05 g/mol.
Where can I buy 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.