3-Iodo-5-nitroaniline
TL;DR: 3-Iodo-5-nitroaniline (CAS 10394-64-6) is a chemical compound with molecular formula C6H5IN2O2 and molecular weight 263.93958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-iodo-5-nitroaniline
Also Known As: 3-Iodo-5-nitroaniline, Benzenamine, 3-iodo-5-nitro-, 3-iodo-5-nitro-aniline, ANILINE, 3-IODO-5-NITRO-, aniline, 5-iodo-3-nitro-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5IN2O2 |
| Molecular Weight | 263.93958 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.93958 Da |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])I)N |
| InChIKey | BKYNSFHBQVINES-UHFFFAOYSA-N |
Chemical Property Profile of 3-Iodo-5-nitroaniline
Property Insights of 3-Iodo-5-nitroaniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-5-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Iodo-5-nitroaniline. Following Lipinski's Rule of Five, 3-Iodo-5-nitroaniline has 1 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 3-Iodo-5-nitroaniline?
The CAS number of 3-Iodo-5-nitroaniline is 10394-64-6.
What is the molecular formula of 3-Iodo-5-nitroaniline?
The molecular formula of 3-Iodo-5-nitroaniline is C6H5IN2O2.
What is the molecular weight of 3-Iodo-5-nitroaniline?
The molecular weight of 3-Iodo-5-nitroaniline is 263.93958 g/mol.
Where can I buy 3-Iodo-5-nitroaniline?
You can request a quote for 3-Iodo-5-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Iodo-5-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 3-Iodo-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.