Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate
TL;DR: Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate (CAS 14001-67-3) is a chemical compound with molecular formula C7H7NO3 and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-oxo-1H-pyridine-3-carboxylate
Also Known As: methyl 6-hydroxynicotinate, methyl 6-oxo-1,6-dihydropyridine-3-carboxylate, 6-hydroxynicotinic acid methyl ester, 6-Hydroxy-nicotinic acid methyl ester, methyl 6-oxo-1,6-dihydro-3-pyridinecarboxylate
| Molecular Formula | C7H7NO3 |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.04259 |
| Heavy Atoms | 11 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 14001-67-3 |
|---|---|
| SMILES | COC(=O)C1=CNC(=O)C=C1 |
| InChIKey | JTVVPKLHKMKWNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate (CAS 14001-67-3), with molecular formula C7H7NO3 and molecular weight 153.04 g/mol. IUPAC: methyl 6-oxo-1H-pyridine-3-carboxylate.
Chemical Property Profile of Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate
Property Insights of Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate
The XLogP value of -0.2 indicates that Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-oxo-1,6-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
Frequently Asked Questions
What is the CAS number of Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate?
The CAS number of Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate is 14001-67-3.
What is the molecular formula of Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate?
The molecular formula of Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate is C7H7NO3.
What is the molecular weight of Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate?
The molecular weight of Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate is 153.04 g/mol.
Where can I buy Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate?
You can request a quote for Methyl 6-oxo-1,6-dihydropyridine-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 6-oxo-1,6-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.