3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide
TL;DR: 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide (CAS 65101-46-4) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxycarbonylphenyl) 1-oxidopyridin-1-ium-3-carboxylate
Also Known As: 2-(Methoxycarbonyl)phenyl 3-pyridinecarboxylate 1-oxide, 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide, (2-methoxycarbonylphenyl) 1-oxidopyridin-1-ium-3-carboxylate, 3-[2-(Methoxycarbonyl)phenoxycarbonyl]pyridine 1-oxide, (2-METHOXYCARBONYLPHENYL) 1-OXIDOPYRIDINE-5-CARBOXYLATE
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 1.3258 |
| Topological Polar Surface Area | 79.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 653.51746 |
Chemical Identifiers
| CAS Number | 65101-46-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1OC(=O)C2=C[N+](=CC=C2)[O-] |
Product Overview
3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide (CAS 65101-46-4), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: (2-methoxycarbonylphenyl) 1-oxidopyridin-1-ium-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide
Property Insights of 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide
The XLogP value of 1.3258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide. The TPSA of 79.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide has 0 hydrogen bond donor(s) and 5 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 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide?
The CAS number of 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide is 65101-46-4.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide?
The molecular formula of 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide is C14H11NO5.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide?
The molecular weight of 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide is 273.06 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide?
You can request a quote for 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2-(methoxycarbonyl)phenyl ester, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.