2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile (CAS 866020-58-8) is a chemical compound with molecular formula C10H9F3N2O and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 2-hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile, 2-hydroxy-6-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, J3.578.164A, 2-oxo-6-propyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C10H9F3N2O |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 2.21788 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0667 |
| Heavy Atoms | 16 |
| Complexity | 482.30823 |
Chemical Identifiers
| CAS Number | 866020-58-8 |
|---|---|
| SMILES | CCCC1=CC(=C(C(=O)N1)C#N)C(F)(F)F |
Product Overview
2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile (CAS 866020-58-8), with molecular formula C10H9F3N2O and molecular weight 230.07 g/mol. IUPAC: 2-oxo-6-propyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 2.21788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-6-propyl-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 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile is 866020-58-8.
What is the molecular formula of 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile is C10H9F3N2O.
What is the molecular weight of 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile is 230.07 g/mol.
Where can I buy 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-Hydroxy-6-propyl-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 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.