2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide
TL;DR: 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide (CAS 116418-98-5) is a chemical compound with molecular formula C7H7ClN2O3 and molecular weight 202.01453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(chloromethyl)-3-methyl-4-nitro-1-oxidopyridin-1-ium
Also Known As: 2-(chloromethyl)-3-methyl-4-nitropyridine 1-oxide, Pyridine, 2-(chloromethyl)-3-methyl-4-nitro-, 1-oxide, 2-(chloromethyl)-3-methyl-4-nitropyridin-1-ol, 2-chloromethyl-3-methyl-4-nitropyridine 1-oxide, 2-(chloromethyl)-3-methyl-4-nitro-1-oxidopyridin-1-ium
Technical Specifications
| Molecular Formula | C7H7ClN2O3 |
| Molecular Weight | 202.01453 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.01453 Da |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
| SMILES | CC1=C(C=C[N+](=C1CCl)[O-])[N+](=O)[O-] |
| InChIKey | WTUOROFNVRAWHM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide
Property Insights of 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide. Following Lipinski's Rule of Five, 2-(Chloromethyl)-3-methyl-4-nitropyridine 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
What is the CAS number of 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide?
The CAS number of 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide is 116418-98-5.
What is the molecular formula of 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide?
The molecular formula of 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide is C7H7ClN2O3.
What is the molecular weight of 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide?
The molecular weight of 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide is 202.01453 g/mol.
Where can I buy 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide?
You can request a quote for 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide?
Yes, CoreyChem provides custom synthesis services for 2-(Chloromethyl)-3-methyl-4-nitropyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.