Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo-
TL;DR: Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo- (CAS 19872-97-0) is a chemical compound with molecular formula C6H5N3O5 and molecular weight 199.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,5-dinitropyridin-4-one
Also Known As: 3,5-dinitro-1-methyl-4-pyridone, 1-methyl-3,5-dinitropyridin-4-one, 1-methyl-3,5-dinitro-pyridin-4-one, 1-methyl-3,5-dinitropyridin-4(1H)-one, 1-methyl-3,5-dinitro-1,4-dihydropyridin-4-one
| Molecular Formula | C6H5N3O5 |
|---|---|
| Molecular Weight | 199.02 g/mol |
| LogP | 0.2017 |
| Topological Polar Surface Area | 108.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.02292 |
| Heavy Atoms | 14 |
| Complexity | 424.77505 |
Chemical Identifiers
| CAS Number | 19872-97-0 |
|---|---|
| SMILES | CN1C=C(C(=O)C(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo- (CAS 19872-97-0), with molecular formula C6H5N3O5 and molecular weight 199.02 g/mol. IUPAC: 1-methyl-3,5-dinitropyridin-4-one.
Chemical Property Profile of Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo-
Property Insights of Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo-
The XLogP value of 0.2017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo-. The TPSA of 108.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo-. Following Lipinski's Rule of Five, Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo- has 0 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 Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo-?
The CAS number of Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo- is 19872-97-0.
What is the molecular formula of Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo-?
The molecular formula of Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo- is C6H5N3O5.
What is the molecular weight of Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo-?
The molecular weight of Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo- is 199.02 g/mol.
Where can I buy Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo-?
You can request a quote for Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 1,4-dihydro-1-methyl-3,5-dinitro-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.