5-Methyl-2-nitropyridine
TL;DR: 5-Methyl-2-nitropyridine (CAS 117858-72-7) 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.
5-methyl-2-nitropyridine
Also Known As: 5-Methyl-2-nitropyridine, 2-nitro-5-methylpyridine, 2-Nitro-5-picoline, 3-Picoline, 6-nitro-, 3-Methyl-6-nitropyridine
| Molecular Formula | C6H6N2O2 |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | 1.5 |
| 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 | 117858-72-7 |
|---|---|
| SMILES | CC1=CN=C(C=C1)[N+](=O)[O-] |
| InChIKey | FISOVIVSROCTBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2-nitropyridine (CAS 117858-72-7), with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol. IUPAC: 5-methyl-2-nitropyridine.
Chemical Property Profile of 5-Methyl-2-nitropyridine
Property Insights of 5-Methyl-2-nitropyridine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-nitropyridine. With a topological polar surface area (TPSA) of 58.7 Ų, 5-Methyl-2-nitropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-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 5-Methyl-2-nitropyridine?
The CAS number of 5-Methyl-2-nitropyridine is 117858-72-7.
What is the molecular formula of 5-Methyl-2-nitropyridine?
The molecular formula of 5-Methyl-2-nitropyridine is C6H6N2O2.
What is the molecular weight of 5-Methyl-2-nitropyridine?
The molecular weight of 5-Methyl-2-nitropyridine is 138.04 g/mol.
Where can I buy 5-Methyl-2-nitropyridine?
You can request a quote for 5-Methyl-2-nitropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-nitropyridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-nitropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.