2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile (CAS 73453-73-3) is a chemical compound with molecular formula C8H4F3N3O3 and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-nitro-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 2-hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile, Fmoc-(S)-3-Amino-(6-phenyl)-5-hexenoicacid, 6-methyl-5-nitro-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 6-methyl-5-nitro-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-car, 2-hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C8H4F3N3O3 |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.02048 |
| Heavy Atoms | 17 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 73453-73-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=O)N1)C#N)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | VBZATTIMIASLRS-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile (CAS 73453-73-3), with molecular formula C8H4F3N3O3 and molecular weight 247.02 g/mol. IUPAC: 6-methyl-5-nitro-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile. Following Lipinski's Rule of Five, 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile has 1 hydrogen bond donor(s) and 7 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-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile is 73453-73-3.
What is the molecular formula of 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile is C8H4F3N3O3.
What is the molecular weight of 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile is 247.02 g/mol.
Where can I buy 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-Hydroxy-6-methyl-5-nitro-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-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.