5-Fluoronicotine
TL;DR: 5-Fluoronicotine (CAS 35286-36-3) is a chemical compound with molecular formula C10H13FN2 and molecular weight 180.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-5-(1-methylpyrrolidin-2-yl)pyridine
Also Known As: 5-Fluoronicotine, 3-fluoro-5-(1-methylpyrrolidin-2-yl)pyridine, 3-Fluoro-5-(1-methyl-2-pyrrolidinyl)pyridine, Pyridine, 3-fluoro-5-(1-methyl-2-pyrrolidinyl)-, RefChem:102656
| Molecular Formula | C10H13FN2 |
|---|---|
| Molecular Weight | 180.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 16.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.10628 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 35286-36-3 |
|---|---|
| SMILES | CN1CCCC1C2=CC(=CN=C2)F |
| InChIKey | WEACEDDYURLEPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoronicotine (CAS 35286-36-3), with molecular formula C10H13FN2 and molecular weight 180.11 g/mol. IUPAC: 3-fluoro-5-(1-methylpyrrolidin-2-yl)pyridine.
Chemical Property Profile of 5-Fluoronicotine
Property Insights of 5-Fluoronicotine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoronicotine. With a topological polar surface area (TPSA) of 16.1 Ų, 5-Fluoronicotine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoronicotine has 0 hydrogen bond donor(s) and 3 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 5-Fluoronicotine?
The CAS number of 5-Fluoronicotine is 35286-36-3.
What is the molecular formula of 5-Fluoronicotine?
The molecular formula of 5-Fluoronicotine is C10H13FN2.
What is the molecular weight of 5-Fluoronicotine?
The molecular weight of 5-Fluoronicotine is 180.11 g/mol.
Where can I buy 5-Fluoronicotine?
You can request a quote for 5-Fluoronicotine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoronicotine?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoronicotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.