Methyl 2-bromo-5-methylnicotinate
TL;DR: Methyl 2-bromo-5-methylnicotinate (CAS 136227-39-9) is a chemical compound with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-5-methylpyridine-3-carboxylate
Also Known As: methyl 2-bromo-5-methylnicotinate, methyl 2-bromo-5-methylpyridine-3-carboxylate, Methyl2-bromo-5-methylnicotinate, 6449AA, methyl 2-bromo-5-methyl-3-pyridine carboxylate
| Molecular Formula | C8H8BrNO2 |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | 1.93912 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.97385 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 136227-39-9 |
|---|---|
| SMILES | CC1=CC(=C(N=C1)Br)C(=O)OC |
Product Overview
Methyl 2-bromo-5-methylnicotinate (CAS 136227-39-9), with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol. IUPAC: methyl 2-bromo-5-methylpyridine-3-carboxylate.
Chemical Property Profile of Methyl 2-bromo-5-methylnicotinate
Property Insights of Methyl 2-bromo-5-methylnicotinate
The XLogP value of 1.93912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-5-methylnicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 2-bromo-5-methylnicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-5-methylnicotinate 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-bromo-5-methylnicotinate?
The CAS number of Methyl 2-bromo-5-methylnicotinate is 136227-39-9.
What is the molecular formula of Methyl 2-bromo-5-methylnicotinate?
The molecular formula of Methyl 2-bromo-5-methylnicotinate is C8H8BrNO2.
What is the molecular weight of Methyl 2-bromo-5-methylnicotinate?
The molecular weight of Methyl 2-bromo-5-methylnicotinate is 228.97 g/mol.
Where can I buy Methyl 2-bromo-5-methylnicotinate?
You can request a quote for Methyl 2-bromo-5-methylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-5-methylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-5-methylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.