Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate
TL;DR: Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate (CAS 502136-91-6) is a chemical compound with molecular formula C14H9FN2O3 and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylate
Also Known As: Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate, methyl 3-cyano-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-4-carboxylate, methyl 3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylate
| Molecular Formula | C14H9FN2O3 |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.05972 |
| Heavy Atoms | 20 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 502136-91-6 |
|---|---|
| SMILES | COC(=O)C1=C(C(=O)NC(=C1)C2=CC=C(C=C2)F)C#N |
| InChIKey | UOZHPUDCWXXJHS-UHFFFAOYSA-N |
Product Overview
Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate (CAS 502136-91-6), with molecular formula C14H9FN2O3 and molecular weight 272.06 g/mol. IUPAC: methyl 3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylate.
Chemical Property Profile of Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate
Property Insights of Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate has 1 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 Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate?
The CAS number of Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate is 502136-91-6.
What is the molecular formula of Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate?
The molecular formula of Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate is C14H9FN2O3.
What is the molecular weight of Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate?
The molecular weight of Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate is 272.06 g/mol.
Where can I buy Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate?
You can request a quote for Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-cyano-6-(4-fluorophenyl)-2-hydroxypyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.