Methyl 5-bromopyridine-3-carboxylate
TL;DR: Methyl 5-bromopyridine-3-carboxylate (CAS 29871-12-3) 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 5-bromopyridine-3-carboxylate
Also Known As: Methyl 5-bromonicotinate, Methyl 5-bromopyridine-3-carboxylate, 5-Bromonicotinic acid methyl ester, 5-bromo nicotinic acid methyl ester, methyl-5-bromnicotinat
| Molecular Formula | C7H6BrNO2 |
|---|---|
| Molecular Weight | 214.96 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 | 214.95819 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 29871-12-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CN=C1)Br |
| InChIKey | AAJZXPWBILCHAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-bromopyridine-3-carboxylate (CAS 29871-12-3), with molecular formula C7H6BrNO2 and molecular weight 214.96 g/mol. IUPAC: methyl 5-bromopyridine-3-carboxylate.
Chemical Property Profile of Methyl 5-bromopyridine-3-carboxylate
Property Insights of Methyl 5-bromopyridine-3-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromopyridine-3-carboxylate. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 5-bromopyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromopyridine-3-carboxylate 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-bromopyridine-3-carboxylate?
The CAS number of Methyl 5-bromopyridine-3-carboxylate is 29871-12-3.
What is the molecular formula of Methyl 5-bromopyridine-3-carboxylate?
The molecular formula of Methyl 5-bromopyridine-3-carboxylate is C7H6BrNO2.
What is the molecular weight of Methyl 5-bromopyridine-3-carboxylate?
The molecular weight of Methyl 5-bromopyridine-3-carboxylate is 214.96 g/mol.
Where can I buy Methyl 5-bromopyridine-3-carboxylate?
You can request a quote for Methyl 5-bromopyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromopyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.