1-Hydroxy-3,5-dinitropyridin-2-one
TL;DR: 1-Hydroxy-3,5-dinitropyridin-2-one (CAS 98136-47-1) is a chemical compound with molecular formula C5H3N3O6 and molecular weight 201.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-3,5-dinitropyridin-2-one
Also Known As: 1-hydroxy-3,5-dinitropyridin-2-one, 3,5-dinitropyridin-2-ol 1-oxide, 3,5-dinitropyridine-1,2-diol, 1-hydroxy-3,5-dinitro-pyridin-2-one, 1-hydroxy-3,5-dinitro-1H-pyridin-2-one
| Molecular Formula | C5H3N3O6 |
|---|---|
| Molecular Weight | 201.00 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.00218 |
| Heavy Atoms | 14 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 98136-47-1 |
|---|---|
| SMILES | C1=C(C(=O)N(C=C1[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | NJDKEOJCPSUVCO-UHFFFAOYSA-N |
Product Overview
1-Hydroxy-3,5-dinitropyridin-2-one (CAS 98136-47-1), with molecular formula C5H3N3O6 and molecular weight 201.00 g/mol. IUPAC: 1-hydroxy-3,5-dinitropyridin-2-one.
Chemical Property Profile of 1-Hydroxy-3,5-dinitropyridin-2-one
Property Insights of 1-Hydroxy-3,5-dinitropyridin-2-one
The XLogP value of -0.5 indicates that 1-Hydroxy-3,5-dinitropyridin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hydroxy-3,5-dinitropyridin-2-one. Following Lipinski's Rule of Five, 1-Hydroxy-3,5-dinitropyridin-2-one has 1 hydrogen bond donor(s) and 6 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 1-Hydroxy-3,5-dinitropyridin-2-one?
The CAS number of 1-Hydroxy-3,5-dinitropyridin-2-one is 98136-47-1.
What is the molecular formula of 1-Hydroxy-3,5-dinitropyridin-2-one?
The molecular formula of 1-Hydroxy-3,5-dinitropyridin-2-one is C5H3N3O6.
What is the molecular weight of 1-Hydroxy-3,5-dinitropyridin-2-one?
The molecular weight of 1-Hydroxy-3,5-dinitropyridin-2-one is 201.00 g/mol.
Where can I buy 1-Hydroxy-3,5-dinitropyridin-2-one?
You can request a quote for 1-Hydroxy-3,5-dinitropyridin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-3,5-dinitropyridin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-3,5-dinitropyridin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.