Pyridine, 3-methyl-4-nitro-, 1-oxide
TL;DR: Pyridine, 3-methyl-4-nitro-, 1-oxide (CAS 1074-98-2) is a chemical compound with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitro-1-oxidopyridin-1-ium
Also Known As: 3-Methyl-4-nitropyridine 1-oxide, 3-Methyl-4-nitropyridine N-oxide, 4-NITRO-3-PICOLINE N-OXIDE, 3-Methyl-4-nitropyridine-N-oxide, 4-Nitro-3-picoline-N-oxide
| Molecular Formula | C6H6N2O3 |
|---|---|
| Molecular Weight | 154.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.03784 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 1074-98-2 |
|---|---|
| SMILES | CC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-] |
| InChIKey | SSOURMYKACOBIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridine, 3-methyl-4-nitro-, 1-oxide (CAS 1074-98-2), with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol. IUPAC: 3-methyl-4-nitro-1-oxidopyridin-1-ium.
Chemical Property Profile of Pyridine, 3-methyl-4-nitro-, 1-oxide
Property Insights of Pyridine, 3-methyl-4-nitro-, 1-oxide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 3-methyl-4-nitro-, 1-oxide. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 3-methyl-4-nitro-, 1-oxide. Following Lipinski's Rule of Five, Pyridine, 3-methyl-4-nitro-, 1-oxide has 0 hydrogen bond donor(s) and 3 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, 3-methyl-4-nitro-, 1-oxide?
The CAS number of Pyridine, 3-methyl-4-nitro-, 1-oxide is 1074-98-2.
What is the molecular formula of Pyridine, 3-methyl-4-nitro-, 1-oxide?
The molecular formula of Pyridine, 3-methyl-4-nitro-, 1-oxide is C6H6N2O3.
What is the molecular weight of Pyridine, 3-methyl-4-nitro-, 1-oxide?
The molecular weight of Pyridine, 3-methyl-4-nitro-, 1-oxide is 154.04 g/mol.
Where can I buy Pyridine, 3-methyl-4-nitro-, 1-oxide?
You can request a quote for Pyridine, 3-methyl-4-nitro-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 3-methyl-4-nitro-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 3-methyl-4-nitro-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.