Methyl 5-bromo-6-chloronicotinate
TL;DR: Methyl 5-bromo-6-chloronicotinate (CAS 78686-77-8) is a chemical compound with molecular formula C7H5BrClNO2 and molecular weight 248.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-6-chloropyridine-3-carboxylate
Also Known As: Methyl 5-bromo-6-chloronicotinate, methyl 5-bromo-6-chloropyridine-3-carboxylate, zlchem 1175, Nicergoline Impurity 37, methyl-5-bromo-6-chloronicotinate
| Molecular Formula | C7H5BrClNO2 |
|---|---|
| Molecular Weight | 248.92 g/mol |
| LogP | 2.2841 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.91922 |
| Heavy Atoms | 12 |
| Complexity | 316.27472 |
Chemical Identifiers
| CAS Number | 78686-77-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(N=C1)Cl)Br |
Product Overview
Methyl 5-bromo-6-chloronicotinate (CAS 78686-77-8), with molecular formula C7H5BrClNO2 and molecular weight 248.92 g/mol. IUPAC: methyl 5-bromo-6-chloropyridine-3-carboxylate.
Chemical Property Profile of Methyl 5-bromo-6-chloronicotinate
Property Insights of Methyl 5-bromo-6-chloronicotinate
The XLogP value of 2.2841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-6-chloronicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 5-bromo-6-chloronicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-6-chloronicotinate 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 5-bromo-6-chloronicotinate?
The CAS number of Methyl 5-bromo-6-chloronicotinate is 78686-77-8.
What is the molecular formula of Methyl 5-bromo-6-chloronicotinate?
The molecular formula of Methyl 5-bromo-6-chloronicotinate is C7H5BrClNO2.
What is the molecular weight of Methyl 5-bromo-6-chloronicotinate?
The molecular weight of Methyl 5-bromo-6-chloronicotinate is 248.92 g/mol.
Where can I buy Methyl 5-bromo-6-chloronicotinate?
You can request a quote for Methyl 5-bromo-6-chloronicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-6-chloronicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-6-chloronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.