Methyl 3-nitroisonicotinate
TL;DR: Methyl 3-nitroisonicotinate (CAS 103698-37-9) is a chemical compound with molecular formula C7H6N2O4 and molecular weight 182.03276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-nitropyridine-4-carboxylate
Also Known As: methyl 3-nitroisonicotinate, methyl 3-nitropyridine-4-carboxylate, Methyl3-Nitroisonicotinate, Methyl 3-nitroisonicotinoate, TPC-PY005
Technical Specifications
| Molecular Formula | C7H6N2O4 |
| Molecular Weight | 182.03276 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.03276 Da |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
| SMILES | COC(=O)C1=C(C=NC=C1)[N+](=O)[O-] |
| InChIKey | VFZBLITUPLITGH-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-nitroisonicotinate
Property Insights of Methyl 3-nitroisonicotinate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitroisonicotinate. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitroisonicotinate. Following Lipinski's Rule of Five, Methyl 3-nitroisonicotinate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-nitroisonicotinate?
The CAS number of Methyl 3-nitroisonicotinate is 103698-37-9.
What is the molecular formula of Methyl 3-nitroisonicotinate?
The molecular formula of Methyl 3-nitroisonicotinate is C7H6N2O4.
What is the molecular weight of Methyl 3-nitroisonicotinate?
The molecular weight of Methyl 3-nitroisonicotinate is 182.03276 g/mol.
Where can I buy Methyl 3-nitroisonicotinate?
You can request a quote for Methyl 3-nitroisonicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-nitroisonicotinate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-nitroisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.