3-Iodo-5-nitrobenzonitrile
TL;DR: 3-Iodo-5-nitrobenzonitrile (CAS 49674-30-8) is a chemical compound with molecular formula C7H3IN2O2 and molecular weight 273.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-5-nitrobenzonitrile
Also Known As: 3-iodo-5-nitrobenzonitrile, 3-iodo-5-nitro-benzonitrile, 5-iodo-3-nitrobenzenecarbonitrile
| Molecular Formula | C7H3IN2O2 |
|---|---|
| Molecular Weight | 273.92 g/mol |
| LogP | 2.07108 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.92392 |
| Heavy Atoms | 12 |
| Complexity | 370.1594 |
Chemical Identifiers
| CAS Number | 49674-30-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])I)C#N |
Product Overview
3-Iodo-5-nitrobenzonitrile (CAS 49674-30-8), with molecular formula C7H3IN2O2 and molecular weight 273.92 g/mol. IUPAC: 3-iodo-5-nitrobenzonitrile.
Chemical Property Profile of 3-Iodo-5-nitrobenzonitrile
Property Insights of 3-Iodo-5-nitrobenzonitrile
The XLogP value of 2.07108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-5-nitrobenzonitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Iodo-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 3-Iodo-5-nitrobenzonitrile 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 3-Iodo-5-nitrobenzonitrile?
The CAS number of 3-Iodo-5-nitrobenzonitrile is 49674-30-8.
What is the molecular formula of 3-Iodo-5-nitrobenzonitrile?
The molecular formula of 3-Iodo-5-nitrobenzonitrile is C7H3IN2O2.
What is the molecular weight of 3-Iodo-5-nitrobenzonitrile?
The molecular weight of 3-Iodo-5-nitrobenzonitrile is 273.92 g/mol.
Where can I buy 3-Iodo-5-nitrobenzonitrile?
You can request a quote for 3-Iodo-5-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodo-5-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodo-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.