6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile
TL;DR: 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile (CAS 415908-82-6) is a chemical compound with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-5-nitro-6-oxo-1H-pyridine-3-carbonitrile
Also Known As: 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile, 2,4-dimethyl-5-nitro-6-oxo-1H-pyridine-3-carbonitrile
| Molecular Formula | C8H7N3O3 |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | 0.77162 |
| Topological Polar Surface Area | 99.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.04874 |
| Heavy Atoms | 14 |
| Complexity | 495.77856 |
Chemical Identifiers
| CAS Number | 415908-82-6 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=C1C#N)C)[N+](=O)[O-] |
Product Overview
6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile (CAS 415908-82-6), with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol. IUPAC: 2,4-dimethyl-5-nitro-6-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile
Property Insights of 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile
The XLogP value of 0.77162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile. The TPSA of 99.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile. Following Lipinski's Rule of Five, 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile 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 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile?
The CAS number of 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile is 415908-82-6.
What is the molecular formula of 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile?
The molecular formula of 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile is C8H7N3O3.
What is the molecular weight of 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile?
The molecular weight of 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile is 193.05 g/mol.
Where can I buy 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile?
You can request a quote for 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxy-2,4-dimethyl-5-nitronicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.