Methyl 3-bromoisonicotinate
TL;DR: Methyl 3-bromoisonicotinate (CAS 883541-40-0) is a chemical compound with molecular formula C7H6BrNO2 and molecular weight 214.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-bromopyridine-4-carboxylate
Also Known As: METHYL 3-BROMOISONICOTINATE, Methyl 3-bromopyridine-4-carboxylate, Methyl3-bromoisonicotinate, 3-Bromoisonicotinic acid methyl ester, methyl-3-bromoisonicotinate
| Molecular Formula | C7H6BrNO2 |
|---|---|
| Molecular Weight | 214.96 g/mol |
| LogP | 1.6307 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.95819 |
| Heavy Atoms | 11 |
| Complexity | 274.898 |
Chemical Identifiers
| CAS Number | 883541-40-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=NC=C1)Br |
Product Overview
Methyl 3-bromoisonicotinate (CAS 883541-40-0), with molecular formula C7H6BrNO2 and molecular weight 214.96 g/mol. IUPAC: methyl 3-bromopyridine-4-carboxylate.
Chemical Property Profile of Methyl 3-bromoisonicotinate
Property Insights of Methyl 3-bromoisonicotinate
The XLogP value of 1.6307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-bromoisonicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 3-bromoisonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-bromoisonicotinate 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 3-bromoisonicotinate?
The CAS number of Methyl 3-bromoisonicotinate is 883541-40-0.
What is the molecular formula of Methyl 3-bromoisonicotinate?
The molecular formula of Methyl 3-bromoisonicotinate is C7H6BrNO2.
What is the molecular weight of Methyl 3-bromoisonicotinate?
The molecular weight of Methyl 3-bromoisonicotinate is 214.96 g/mol.
Where can I buy Methyl 3-bromoisonicotinate?
You can request a quote for Methyl 3-bromoisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-bromoisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-bromoisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.