(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate
TL;DR: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate (CAS 868679-72-5) is a chemical compound with molecular formula C13H9FN2O5 and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate
Also Known As: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate, AB00676234-01, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-fluorobenzoate, F1826-0053
| Molecular Formula | C13H9FN2O5 |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 1.94982 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.04956 |
| Heavy Atoms | 21 |
| Complexity | 767.12134 |
Chemical Identifiers
| CAS Number | 868679-72-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)F |
Product Overview
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate (CAS 868679-72-5), with molecular formula C13H9FN2O5 and molecular weight 292.05 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate.
Chemical Property Profile of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate
Property Insights of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate
The XLogP value of 1.94982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate. Following Lipinski's Rule of Five, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate has 1 hydrogen bond donor(s) and 5 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-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate?
The CAS number of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate is 868679-72-5.
What is the molecular formula of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate?
The molecular formula of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate is C13H9FN2O5.
What is the molecular weight of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate?
The molecular weight of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate is 292.05 g/mol.
Where can I buy (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate?
You can request a quote for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.