2,6-Dimethyl-3-nitropyridin-4-ol
TL;DR: 2,6-Dimethyl-3-nitropyridin-4-ol (CAS 122957-45-3) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyl-3-nitro-1H-pyridin-4-one
Also Known As: 2,6-Dimethyl-3-nitropyridin-4-ol, 2,6-Dimethyl-4-hydroxy-3-nitropyridine, 2,6-Dimethyl-3-nitro-4-pyridinol, 2,6-dimethyl-3-nitro-1H-pyridin-4-one, 2,6-Dimethyl-3-nitropyridin-4(1H)-one
| Molecular Formula | C7H8N2O3 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.0535 |
| Heavy Atoms | 12 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 122957-45-3 |
|---|---|
| SMILES | CC1=CC(=O)C(=C(N1)C)[N+](=O)[O-] |
| InChIKey | PKAUZTQOCSCVLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethyl-3-nitropyridin-4-ol (CAS 122957-45-3), with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol. IUPAC: 2,6-dimethyl-3-nitro-1H-pyridin-4-one.
Chemical Property Profile of 2,6-Dimethyl-3-nitropyridin-4-ol
Property Insights of 2,6-Dimethyl-3-nitropyridin-4-ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-3-nitropyridin-4-ol. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethyl-3-nitropyridin-4-ol. Following Lipinski's Rule of Five, 2,6-Dimethyl-3-nitropyridin-4-ol has 1 hydrogen bond donor(s) and 4 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 2,6-Dimethyl-3-nitropyridin-4-ol?
The CAS number of 2,6-Dimethyl-3-nitropyridin-4-ol is 122957-45-3.
What is the molecular formula of 2,6-Dimethyl-3-nitropyridin-4-ol?
The molecular formula of 2,6-Dimethyl-3-nitropyridin-4-ol is C7H8N2O3.
What is the molecular weight of 2,6-Dimethyl-3-nitropyridin-4-ol?
The molecular weight of 2,6-Dimethyl-3-nitropyridin-4-ol is 168.05 g/mol.
Where can I buy 2,6-Dimethyl-3-nitropyridin-4-ol?
You can request a quote for 2,6-Dimethyl-3-nitropyridin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-3-nitropyridin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-3-nitropyridin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.