3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one
TL;DR: 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one (CAS 40487-96-5) is a chemical compound with molecular formula C7H7BrFNO and molecular weight 218.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one
Also Known As: 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one, 3-Bromo-5-fluoro-2,6-dimethylpyridin-4(1H)-one
| Molecular Formula | C7H7BrFNO |
|---|---|
| Molecular Weight | 218.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.9695 |
| Heavy Atoms | 11 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 40487-96-5 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(N1)C)Br)F |
| InChIKey | UMPTVCJXODXBID-UHFFFAOYSA-N |
Product Overview
3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one (CAS 40487-96-5), with molecular formula C7H7BrFNO and molecular weight 218.97 g/mol. IUPAC: 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one.
Chemical Property Profile of 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one
Property Insights of 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one has 1 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-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one?
The CAS number of 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one is 40487-96-5.
What is the molecular formula of 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one?
The molecular formula of 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one is C7H7BrFNO.
What is the molecular weight of 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one?
The molecular weight of 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one is 218.97 g/mol.
Where can I buy 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one?
You can request a quote for 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-5-fluoro-2,6-dimethyl-1H-pyridin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.