3-Methyl-5-nitropyridine
TL;DR: 3-Methyl-5-nitropyridine (CAS 87798-74-1) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-nitropyridine
Also Known As: 3-METHYL-5-NITROPYRIDINE, 5-Nitro-3-picoline, 3-Nitro-5-picoline, 3-methyl-5-nitro-pyridine, 5-methyl-3-nitropyridine
| Molecular Formula | C6H6N2O2 |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.04292 |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 87798-74-1 |
|---|---|
| SMILES | CC1=CC(=CN=C1)[N+](=O)[O-] |
| InChIKey | OQWXZZCTJZOSGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-5-nitropyridine (CAS 87798-74-1), with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol. IUPAC: 3-methyl-5-nitropyridine.
Chemical Property Profile of 3-Methyl-5-nitropyridine
Property Insights of 3-Methyl-5-nitropyridine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-nitropyridine. With a topological polar surface area (TPSA) of 58.7 Ų, 3-Methyl-5-nitropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-nitropyridine 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 3-Methyl-5-nitropyridine?
The CAS number of 3-Methyl-5-nitropyridine is 87798-74-1.
What is the molecular formula of 3-Methyl-5-nitropyridine?
The molecular formula of 3-Methyl-5-nitropyridine is C6H6N2O2.
What is the molecular weight of 3-Methyl-5-nitropyridine?
The molecular weight of 3-Methyl-5-nitropyridine is 138.04 g/mol.
Where can I buy 3-Methyl-5-nitropyridine?
You can request a quote for 3-Methyl-5-nitropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-nitropyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-nitropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.