Methyl 5-fluoro-3-pyridinecarboxylate
TL;DR: Methyl 5-fluoro-3-pyridinecarboxylate (CAS 455-70-9) is a chemical compound with molecular formula C7H6FNO2 and molecular weight 155.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-fluoropyridine-3-carboxylate
Also Known As: Methyl 5-fluoronicotinate, Methyl 5-fluoro-3-pyridinecarboxylate, methyl 5-fluoropyridine-3-carboxylate, 5-Fluoro-nicotinic acid methyl ester, METHYL5-FLUORONICOTINATE
| Molecular Formula | C7H6FNO2 |
|---|---|
| Molecular Weight | 155.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.03825 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 455-70-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CN=C1)F |
| InChIKey | PGCFLXMMCWKPDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-fluoro-3-pyridinecarboxylate (CAS 455-70-9), with molecular formula C7H6FNO2 and molecular weight 155.04 g/mol. IUPAC: methyl 5-fluoropyridine-3-carboxylate.
Chemical Property Profile of Methyl 5-fluoro-3-pyridinecarboxylate
Property Insights of Methyl 5-fluoro-3-pyridinecarboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-fluoro-3-pyridinecarboxylate. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 5-fluoro-3-pyridinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-fluoro-3-pyridinecarboxylate has 0 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 5-fluoro-3-pyridinecarboxylate?
The CAS number of Methyl 5-fluoro-3-pyridinecarboxylate is 455-70-9.
What is the molecular formula of Methyl 5-fluoro-3-pyridinecarboxylate?
The molecular formula of Methyl 5-fluoro-3-pyridinecarboxylate is C7H6FNO2.
What is the molecular weight of Methyl 5-fluoro-3-pyridinecarboxylate?
The molecular weight of Methyl 5-fluoro-3-pyridinecarboxylate is 155.04 g/mol.
Where can I buy Methyl 5-fluoro-3-pyridinecarboxylate?
You can request a quote for Methyl 5-fluoro-3-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-fluoro-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-fluoro-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.