Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate
TL;DR: Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate (CAS 120034-05-1) is a chemical compound with molecular formula C7H6BrNO3 and molecular weight 230.95311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
Also Known As: Methyl 5-bromo-2-hydroxynicotinate, methyl 5-bromo-2-hydroxypyridine-3-carboxylate, methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate, methyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate, Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate
Technical Specifications
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 230.95311 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.95311 Da |
| Heavy Atoms | 12 |
| Complexity | 293.0 |
| SMILES | COC(=O)C1=CC(=CNC1=O)Br |
| InChIKey | TXZVFXMZHYRSDN-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate
Property Insights of Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate 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
What is the CAS number of Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate?
The CAS number of Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate is 120034-05-1.
What is the molecular formula of Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate?
The molecular formula of Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate is C7H6BrNO3.
What is the molecular weight of Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate?
The molecular weight of Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate is 230.95311 g/mol.
Where can I buy Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate?
You can request a quote for Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.