Methyl 5-bromo-6-hydroxynicotinate
TL;DR: Methyl 5-bromo-6-hydroxynicotinate (CAS 381247-99-0) is a chemical compound with molecular formula C7H6BrNO3 and molecular weight 230.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-6-oxo-1H-pyridine-3-carboxylate
Also Known As: Methyl 5-bromo-6-hydroxynicotinate, methyl 5-bromo-6-hydroxypyridine-3-carboxylate, methyl 5-bromo-6-oxo-1,6-dihydropyridine-3-carboxylate, methyl 5-bromo-6-oxo-1H-pyridine-3-carboxylate, METHYL5-BROMO-6-HYDROXYNICOTINATE
| Molecular Formula | C7H6BrNO3 |
|---|---|
| Molecular Weight | 230.95 g/mol |
| LogP | 0.924 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.95311 |
| Heavy Atoms | 12 |
| Complexity | 357.91428 |
Chemical Identifiers
| CAS Number | 381247-99-0 |
|---|---|
| SMILES | COC(=O)C1=CNC(=O)C(=C1)Br |
Product Overview
Methyl 5-bromo-6-hydroxynicotinate (CAS 381247-99-0), with molecular formula C7H6BrNO3 and molecular weight 230.95 g/mol. IUPAC: methyl 5-bromo-6-oxo-1H-pyridine-3-carboxylate.
Chemical Property Profile of Methyl 5-bromo-6-hydroxynicotinate
Property Insights of Methyl 5-bromo-6-hydroxynicotinate
The XLogP value of 0.924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-6-hydroxynicotinate. With a topological polar surface area (TPSA) of 59.16 Ų, Methyl 5-bromo-6-hydroxynicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-6-hydroxynicotinate has 1 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-hydroxynicotinate?
The CAS number of Methyl 5-bromo-6-hydroxynicotinate is 381247-99-0.
What is the molecular formula of Methyl 5-bromo-6-hydroxynicotinate?
The molecular formula of Methyl 5-bromo-6-hydroxynicotinate is C7H6BrNO3.
What is the molecular weight of Methyl 5-bromo-6-hydroxynicotinate?
The molecular weight of Methyl 5-bromo-6-hydroxynicotinate is 230.95 g/mol.
Where can I buy Methyl 5-bromo-6-hydroxynicotinate?
You can request a quote for Methyl 5-bromo-6-hydroxynicotinate 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-hydroxynicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-6-hydroxynicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.