5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 23922-87-4) is a chemical compound with molecular formula C8H7BrN2O and molecular weight 225.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: 5-bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 5-Bromo-2-hydroxy-4,6-dimethylnicotinonitrile, 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile, 5-bromo-3-cyano-2-hydroxy-4,6-dimethylpyridine, 5-bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
| Molecular Formula | C8H7BrN2O |
|---|---|
| Molecular Weight | 225.97 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.97418 |
| Heavy Atoms | 12 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 23922-87-4 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=C1Br)C)C#N |
| InChIKey | DFGKQCOFARYQOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 23922-87-4), with molecular formula C8H7BrN2O and molecular weight 225.97 g/mol. IUPAC: 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 52.9 Ų, 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 2 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-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is 23922-87-4.
What is the molecular formula of 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is C8H7BrN2O.
What is the molecular weight of 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is 225.97 g/mol.
Where can I buy 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.