5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 72716-80-4) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 2-HYDROXY-5,6-DIMETHYLNICOTINONITRILE, 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile, 2-Hydroxy-5,6-dimethyl-3-pyridinecarbonitrile, 3-cyano-5,6-dimethyl-2-pyridone
| Molecular Formula | C8H8N2O |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.06366 |
| Heavy Atoms | 11 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 72716-80-4 |
|---|---|
| SMILES | CC1=C(NC(=O)C(=C1)C#N)C |
| InChIKey | BUGNNHLZTBPABI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 72716-80-4), with molecular formula C8H8N2O and molecular weight 148.06 g/mol. IUPAC: 5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of -0.2 indicates that 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.9 Ų, 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-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 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is 72716-80-4.
What is the molecular formula of 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is C8H8N2O.
What is the molecular weight of 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile is 148.06 g/mol.
Where can I buy 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 5,6-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 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.