1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone
TL;DR: 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone (CAS 339024-86-1) is a chemical compound with molecular formula C13H9F3N2O3 and molecular weight 298.05652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3-nitro-5-(trifluoromethyl)pyridin-2-one
Also Known As: 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone, 1-benzyl-3-nitro-5-(trifluoromethyl)pyridin-2-one, 8E-502, 1-benzyl-3-nitro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
Technical Specifications
| Molecular Formula | C13H9F3N2O3 |
| Molecular Weight | 298.05652 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.05652 Da |
| Heavy Atoms | 21 |
| Complexity | 500.0 |
| SMILES | C1=CC=C(C=C1)CN2C=C(C=C(C2=O)[N+](=O)[O-])C(F)(F)F |
| InChIKey | MYCNOGODFWCYDQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone
Property Insights of 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone. Following Lipinski's Rule of Five, 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone?
The CAS number of 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone is 339024-86-1.
What is the molecular formula of 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone?
The molecular formula of 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone is C13H9F3N2O3.
What is the molecular weight of 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone?
The molecular weight of 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone is 298.05652 g/mol.
Where can I buy 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone?
You can request a quote for 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone?
Yes, CoreyChem provides custom synthesis services for 1-benzyl-3-nitro-5-(trifluoromethyl)-2(1H)-pyridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.