7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile
TL;DR: 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile (CAS 102072-81-1) is a chemical compound with molecular formula C10H4N2O3 and molecular weight 200.02219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxy-7,8-dioxoisoquinoline-6-carbonitrile
Also Known As: 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile, 5-hydroxy-7,8-dioxoisoquinoline-6-carbonitrile, 6-Isoquinolinecarbonitrile, 5,8-dihydro-7-hydroxy-5,8-dioxo-, 5,8-Dihydro-7-hydroxy-5,8-dioxo-6-isoquinolinecarbonitrile, 5-hydroxy-7,8-dioxo-7,8-dihydroisoquinoline-6-carbonitrile
Technical Specifications
| Molecular Formula | C10H4N2O3 |
| Molecular Weight | 200.02219 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 91.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.02219 Da |
| Heavy Atoms | 15 |
| Complexity | 416.0 |
| SMILES | C1=CN=CC2=C1C(=C(C(=O)C2=O)C#N)O |
| InChIKey | ZPHJVKARMANJIT-UHFFFAOYSA-N |
Chemical Property Profile of 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile
Property Insights of 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile. Following Lipinski's Rule of Five, 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile?
The CAS number of 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile is 102072-81-1.
What is the molecular formula of 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile?
The molecular formula of 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile is C10H4N2O3.
What is the molecular weight of 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile?
The molecular weight of 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile is 200.02219 g/mol.
Where can I buy 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile?
You can request a quote for 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 7-Hydroxy-5,8-dioxo-5,8-dihydroisoquinoline-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.