6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate
TL;DR: 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate (CAS 868679-79-2) is a chemical compound with molecular formula C13H9IN2O5 and molecular weight 399.96 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) 2-iodobenzoate
Also Known As: 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate, AB00676240-01, F1826-0060, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-iodobenzoate, 6-methyl-3-nitro-2-oxo-1,2-dihydro-4-pyridyl o-iodobenzoate
| Molecular Formula | C13H9IN2O5 |
|---|---|
| Molecular Weight | 399.96 g/mol |
| LogP | 2.41532 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.95563 |
| Heavy Atoms | 21 |
| Complexity | 784.37134 |
Chemical Identifiers
| CAS Number | 868679-79-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2I |
Product Overview
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate (CAS 868679-79-2), with molecular formula C13H9IN2O5 and molecular weight 399.96 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-iodobenzoate.
Chemical Property Profile of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate
Property Insights of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate
The XLogP value of 2.41532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate. Following Lipinski's Rule of Five, 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate 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-1,2-dihydropyridin-4-yl 2-iodobenzoate?
The CAS number of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate is 868679-79-2.
What is the molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate?
The molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate is C13H9IN2O5.
What is the molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate?
The molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate is 399.96 g/mol.
Where can I buy 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate?
You can request a quote for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate 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-1,2-dihydropyridin-4-yl 2-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.