6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
TL;DR: 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile (CAS 478049-68-2) is a chemical compound with molecular formula C11H11F3N2O and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 6-(tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile, Bionet2_000667, 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, tertbutylhydroxytrifluoromethylnicotinonitrile, 6-(tert-Butyl)-2-hydroxy-4-(trifluoromethyl)-nicotinonitrile
| Molecular Formula | C11H11F3N2O |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.56288 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.08235 |
| Heavy Atoms | 17 |
| Complexity | 529.60846 |
Chemical Identifiers
| CAS Number | 478049-68-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=O)N1)C#N)C(F)(F)F |
Product Overview
6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile (CAS 478049-68-2), with molecular formula C11H11F3N2O and molecular weight 244.08 g/mol. IUPAC: 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
Property Insights of 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 2.56288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile has 1 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 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile is 478049-68-2.
What is the molecular formula of 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile is C11H11F3N2O.
What is the molecular weight of 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile is 244.08 g/mol.
Where can I buy 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.