![4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile structure](/static/products/5652/565203-31-8.webp)
4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile
TL;DR: 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile (CAS 565203-31-8) is a chemical compound with molecular formula C13H9N3O3 and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-nitro-3-pyridinyl)oxymethyl]benzonitrile
Also Known As: 4-[(2-nitropyridin-3-yl)oxymethyl]benzonitrile, 4-{[(2-nitropyridin-3-yl)oxy]methyl}benzonitrile
| Molecular Formula | C13H9N3O3 |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 2.44048 |
| Topological Polar Surface Area | 89.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.06439 |
| Heavy Atoms | 19 |
| Complexity | 632.32684 |
Chemical Identifiers
| CAS Number | 565203-31-8 |
|---|---|
| SMILES | C1=CC(=C(N=C1)[N+](=O)[O-])OCC2=CC=C(C=C2)C#N |
Product Overview
4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile (CAS 565203-31-8), with molecular formula C13H9N3O3 and molecular weight 255.06 g/mol. IUPAC: 4-[(2-nitro-3-pyridinyl)oxymethyl]benzonitrile.
Chemical Property Profile of 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile
Property Insights of 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile
The XLogP value of 2.44048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile. The TPSA of 89.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile 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
Frequently Asked Questions
What is the CAS number of 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile?
The CAS number of 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile is 565203-31-8.
What is the molecular formula of 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile?
The molecular formula of 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile is C13H9N3O3.
What is the molecular weight of 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile?
The molecular weight of 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile is 255.06 g/mol.
Where can I buy 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile?
You can request a quote for 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Nitropyridin-3-yl)oxymethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.