2-iodo-N-methyl-4-nitroaniline
TL;DR: 2-iodo-N-methyl-4-nitroaniline (CAS 114274-12-3) is a chemical compound with molecular formula C7H7IN2O2 and molecular weight 277.95523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-iodo-N-methyl-4-nitroaniline
Also Known As: 2-iodo-N-methyl-4-nitroaniline, 2-iodo-N-methyl-4-nitro-aniline, E74154
Technical Specifications
| Molecular Formula | C7H7IN2O2 |
| Molecular Weight | 277.95523 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.95523 Da |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
| SMILES | CNC1=C(C=C(C=C1)[N+](=O)[O-])I |
| InChIKey | HELXUVVYCHLMIX-UHFFFAOYSA-N |
Chemical Property Profile of 2-iodo-N-methyl-4-nitroaniline
Property Insights of 2-iodo-N-methyl-4-nitroaniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-iodo-N-methyl-4-nitroaniline. With a topological polar surface area (TPSA) of 57.9 Ų, 2-iodo-N-methyl-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-iodo-N-methyl-4-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 2-iodo-N-methyl-4-nitroaniline?
The CAS number of 2-iodo-N-methyl-4-nitroaniline is 114274-12-3.
What is the molecular formula of 2-iodo-N-methyl-4-nitroaniline?
The molecular formula of 2-iodo-N-methyl-4-nitroaniline is C7H7IN2O2.
What is the molecular weight of 2-iodo-N-methyl-4-nitroaniline?
The molecular weight of 2-iodo-N-methyl-4-nitroaniline is 277.95523 g/mol.
Where can I buy 2-iodo-N-methyl-4-nitroaniline?
You can request a quote for 2-iodo-N-methyl-4-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-iodo-N-methyl-4-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 2-iodo-N-methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.