2-Bromo-isonicotinic acid methyl ester
TL;DR: 2-Bromo-isonicotinic acid methyl ester (CAS 26156-48-9) 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 2-bromopyridine-4-carboxylate
Also Known As: methyl 2-bromoisonicotinate, Methyl 2-bromopyridine-4-carboxylate, 2-Bromo-isonicotinic acid methyl ester, methyl-2-bromoisonicotinate, 2-Bromoisonicotinic acid methyl ester
| 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 | 26156-48-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=NC=C1)Br |
Product Overview
2-Bromo-isonicotinic acid methyl ester (CAS 26156-48-9), with molecular formula C7H6BrNO2 and molecular weight 214.96 g/mol. IUPAC: methyl 2-bromopyridine-4-carboxylate.
Chemical Property Profile of 2-Bromo-isonicotinic acid methyl ester
Property Insights of 2-Bromo-isonicotinic acid methyl ester
The XLogP value of 1.6307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-isonicotinic acid methyl ester. With a topological polar surface area (TPSA) of 39.19 Ų, 2-Bromo-isonicotinic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-isonicotinic acid methyl ester 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 2-Bromo-isonicotinic acid methyl ester?
The CAS number of 2-Bromo-isonicotinic acid methyl ester is 26156-48-9.
What is the molecular formula of 2-Bromo-isonicotinic acid methyl ester?
The molecular formula of 2-Bromo-isonicotinic acid methyl ester is C7H6BrNO2.
What is the molecular weight of 2-Bromo-isonicotinic acid methyl ester?
The molecular weight of 2-Bromo-isonicotinic acid methyl ester is 214.96 g/mol.
Where can I buy 2-Bromo-isonicotinic acid methyl ester?
You can request a quote for 2-Bromo-isonicotinic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-isonicotinic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-isonicotinic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.