3-(Difluoromethyl)pyridine
TL;DR: 3-(Difluoromethyl)pyridine (CAS 76541-44-1) is a chemical compound with molecular formula C6H5F2N and molecular weight 129.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(difluoromethyl)pyridine
Also Known As: 3-(difluoromethyl)pyridine, 3- pyridine, 3-Difluoromethylpyridine, EINECS 278-487-6, pyridine, 3-(difluoromethyl)-
| Molecular Formula | C6H5F2N |
|---|---|
| Molecular Weight | 129.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.039 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 76541-44-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(F)F |
| InChIKey | HKRKGTFBASUFRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Difluoromethyl)pyridine (CAS 76541-44-1), with molecular formula C6H5F2N and molecular weight 129.04 g/mol. IUPAC: 3-(difluoromethyl)pyridine.
Chemical Property Profile of 3-(Difluoromethyl)pyridine
Property Insights of 3-(Difluoromethyl)pyridine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Difluoromethyl)pyridine. With a topological polar surface area (TPSA) of 12.9 Ų, 3-(Difluoromethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Difluoromethyl)pyridine 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 3-(Difluoromethyl)pyridine?
The CAS number of 3-(Difluoromethyl)pyridine is 76541-44-1.
What is the molecular formula of 3-(Difluoromethyl)pyridine?
The molecular formula of 3-(Difluoromethyl)pyridine is C6H5F2N.
What is the molecular weight of 3-(Difluoromethyl)pyridine?
The molecular weight of 3-(Difluoromethyl)pyridine is 129.04 g/mol.
Where can I buy 3-(Difluoromethyl)pyridine?
You can request a quote for 3-(Difluoromethyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Difluoromethyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Difluoromethyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.