3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-
TL;DR: 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo- (CAS 100960-56-3) is a chemical compound with molecular formula C8H5N3O and molecular weight 159.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-oxo-1H-pyridine-3,4-dicarbonitrile
Also Known As: 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-, 6-methyl-2-oxo-1,2-dihydropyridine-3,4-dicarbonitrile, 6-methyl-2-oxo-1H-pyridine-3,4-dicarbonitrile, 6-Methyl-2-oxo-1,2-dihydro-3,4-pyridinedicarbonitrile, RefChem:271319
| Molecular Formula | C8H5N3O |
|---|---|
| Molecular Weight | 159.04 g/mol |
| LogP | 0.42668 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.04326 |
| Heavy Atoms | 12 |
| Complexity | 444.8415 |
Chemical Identifiers
| CAS Number | 100960-56-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)C#N)C#N |
Product Overview
3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo- (CAS 100960-56-3), with molecular formula C8H5N3O and molecular weight 159.04 g/mol. IUPAC: 6-methyl-2-oxo-1H-pyridine-3,4-dicarbonitrile.
Chemical Property Profile of 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-
Property Insights of 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-
The XLogP value of 0.42668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-. Following Lipinski's Rule of Five, 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo- 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 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-?
The CAS number of 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo- is 100960-56-3.
What is the molecular formula of 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-?
The molecular formula of 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo- is C8H5N3O.
What is the molecular weight of 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-?
The molecular weight of 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo- is 159.04 g/mol.
Where can I buy 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-?
You can request a quote for 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Pyridinedicarbonitrile, 1,2-dihydro-6-methyl-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.