Methyl 2-iodoisonicotinate
TL;DR: Methyl 2-iodoisonicotinate (CAS 883525-53-9) is a chemical compound with molecular formula C7H6INO2 and molecular weight 262.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-iodopyridine-4-carboxylate
Also Known As: Methyl 2-iodoisonicotinate, 2-Iodo-isonicotinic acid methyl ester, methyl 2-iodopyridine-4-carboxylate, Methyl2-iodoisonicotinate, M-2-Iict
| Molecular Formula | C7H6INO2 |
|---|---|
| Molecular Weight | 262.94 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.94434 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 883525-53-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=NC=C1)I |
| InChIKey | XXOKMYMXDALOEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-iodoisonicotinate (CAS 883525-53-9), with molecular formula C7H6INO2 and molecular weight 262.94 g/mol. IUPAC: methyl 2-iodopyridine-4-carboxylate.
Chemical Property Profile of Methyl 2-iodoisonicotinate
Property Insights of Methyl 2-iodoisonicotinate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-iodoisonicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 2-iodoisonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-iodoisonicotinate 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 Methyl 2-iodoisonicotinate?
The CAS number of Methyl 2-iodoisonicotinate is 883525-53-9.
What is the molecular formula of Methyl 2-iodoisonicotinate?
The molecular formula of Methyl 2-iodoisonicotinate is C7H6INO2.
What is the molecular weight of Methyl 2-iodoisonicotinate?
The molecular weight of Methyl 2-iodoisonicotinate is 262.94 g/mol.
Where can I buy Methyl 2-iodoisonicotinate?
You can request a quote for Methyl 2-iodoisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-iodoisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-iodoisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.