3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester
TL;DR: 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester (CAS 5472-83-3) is a chemical compound with molecular formula C12H9FN2O2 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-ylmethyl 5-fluoropyridine-3-carboxylate
Also Known As: 3-Pyridinemethanol, 5-fluoronicotinate, 3-Pyridinylmethyl 5-fluoro-3-pyridinecarboxylate, pyridin-3-ylmethyl 5-fluoropyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester, 5-22-02-00173 (Beilstein Handbook Reference)
| Molecular Formula | C12H9FN2O2 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0648 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 5472-83-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)COC(=O)C2=CC(=CN=C2)F |
| InChIKey | JUOAVMLVMVXXFF-UHFFFAOYSA-N |
Product Overview
3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester (CAS 5472-83-3), with molecular formula C12H9FN2O2 and molecular weight 232.06 g/mol. IUPAC: pyridin-3-ylmethyl 5-fluoropyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester
Property Insights of 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester. With a topological polar surface area (TPSA) of 52.1 Ų, 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester 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, 5-fluoro-, 3-pyridinylmethyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester is 5472-83-3.
What is the molecular formula of 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester is C12H9FN2O2.
What is the molecular weight of 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester is 232.06 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester 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, 5-fluoro-, 3-pyridinylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.