3-Bromo-4-(difluoromethyl)pyridine
TL;DR: 3-Bromo-4-(difluoromethyl)pyridine (CAS 114468-05-2) is a chemical compound with molecular formula C6H4BrF2N and molecular weight 206.94952 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-4-(difluoromethyl)pyridine
Also Known As: 3-bromo-4-(difluoromethyl)pyridine, pyridine, 3-bromo-4-(difluoromethyl)-, 3-Brom-4-(difluormethyl)pyridin, 3-bromo-4-difluoromethyl-pyridine, 9491AC
Technical Specifications
| Molecular Formula | C6H4BrF2N |
| Molecular Weight | 206.94952 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.94952 Da |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
| SMILES | C1=CN=CC(=C1C(F)F)Br |
| InChIKey | KCMMLUVZVBBEFO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-4-(difluoromethyl)pyridine
Property Insights of 3-Bromo-4-(difluoromethyl)pyridine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-(difluoromethyl)pyridine. With a topological polar surface area (TPSA) of 12.9 Ų, 3-Bromo-4-(difluoromethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-(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
What is the CAS number of 3-Bromo-4-(difluoromethyl)pyridine?
The CAS number of 3-Bromo-4-(difluoromethyl)pyridine is 114468-05-2.
What is the molecular formula of 3-Bromo-4-(difluoromethyl)pyridine?
The molecular formula of 3-Bromo-4-(difluoromethyl)pyridine is C6H4BrF2N.
What is the molecular weight of 3-Bromo-4-(difluoromethyl)pyridine?
The molecular weight of 3-Bromo-4-(difluoromethyl)pyridine is 206.94952 g/mol.
Where can I buy 3-Bromo-4-(difluoromethyl)pyridine?
You can request a quote for 3-Bromo-4-(difluoromethyl)pyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-4-(difluoromethyl)pyridine?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-4-(difluoromethyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.