(2-Nitropyridin-3-yl) acetate
TL;DR: (2-Nitropyridin-3-yl) acetate (CAS 15128-86-6) 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.
(2-nitro-3-pyridinyl) acetate
Also Known As: (2-nitropyridin-3-yl) acetate, nitro-3-pyridyl acetate, 2-NITROPYRIDIN-3-YL ACETATE, Acetic acid 2-nitro-pyridin-3-yl ester, 3-PYRIDINOL, 2-NITRO-,3-ACETATE
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 | CC(=O)OC1=C(N=CC=C1)[N+](=O)[O-] |
| InChIKey | SEIJLONYISLZRD-UHFFFAOYSA-N |
Chemical Property Profile of (2-Nitropyridin-3-yl) acetate
Property Insights of (2-Nitropyridin-3-yl) acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Nitropyridin-3-yl) acetate. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Nitropyridin-3-yl) acetate. Following Lipinski's Rule of Five, (2-Nitropyridin-3-yl) acetate 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 (2-Nitropyridin-3-yl) acetate?
The CAS number of (2-Nitropyridin-3-yl) acetate is 15128-86-6.
What is the molecular formula of (2-Nitropyridin-3-yl) acetate?
The molecular formula of (2-Nitropyridin-3-yl) acetate is C7H6N2O4.
What is the molecular weight of (2-Nitropyridin-3-yl) acetate?
The molecular weight of (2-Nitropyridin-3-yl) acetate is 182.03276 g/mol.
Where can I buy (2-Nitropyridin-3-yl) acetate?
You can request a quote for (2-Nitropyridin-3-yl) acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Nitropyridin-3-yl) acetate?
Yes, CoreyChem provides custom synthesis services for (2-Nitropyridin-3-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.