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Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate
TL;DR: Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate (CAS 339101-54-1) is a chemical compound with molecular formula C14H11FN2O3 and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate
Also Known As: Methyl 3-[4-(fluoroanilino)carbonyl]isonicotinate, methyl 3-[(4-fluoroanilino)carbonyl]isonicotinate, methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate, Methyl3-[4-(fluoroanilino)carbonyl]isonicotinate, Methyl 3-[(4-fluorophenyl)carbamoyl]isonicotinate
| Molecular Formula | C14H11FN2O3 |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 2.2596 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.07538 |
| Heavy Atoms | 20 |
| Complexity | 641.1222 |
Chemical Identifiers
| CAS Number | 339101-54-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=NC=C1)C(=O)NC2=CC=C(C=C2)F |
Product Overview
Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate (CAS 339101-54-1), with molecular formula C14H11FN2O3 and molecular weight 274.08 g/mol. IUPAC: methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate.
Chemical Property Profile of Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate
Property Insights of Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate
The XLogP value of 2.2596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate has 1 hydrogen bond donor(s) and 4 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-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate?
The CAS number of Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate is 339101-54-1.
What is the molecular formula of Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate?
The molecular formula of Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate is C14H11FN2O3.
What is the molecular weight of Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate?
The molecular weight of Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate is 274.08 g/mol.
Where can I buy Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate?
You can request a quote for Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-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-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.