1-Isoquinolinecarbonitrile
TL;DR: 1-Isoquinolinecarbonitrile (CAS 125771-26-8) is a chemical compound with molecular formula C10H6N2 and molecular weight 154.0531 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
isoquinoline-1-carbonitrile
Also Known As: isoquinoline-1-carbonitrile, 1-Cyanoisoquinoline, 1-Isoquinolinecarbonitrile, Isoquinaldonitrile, isoquinolinecarbonitrile
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H6N2 |
| Molecular Weight | 154.0531 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.0531 Da |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
| SMILES | C1=CC=C2C(=C1)C=CN=C2C#N |
| InChIKey | HJHXYSBRTVFEDD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Isoquinolinecarbonitrile
Property Insights of 1-Isoquinolinecarbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isoquinolinecarbonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 1-Isoquinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isoquinolinecarbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Isoquinolinecarbonitrile?
The CAS number of 1-Isoquinolinecarbonitrile is 125771-26-8.
What is the molecular formula of 1-Isoquinolinecarbonitrile?
The molecular formula of 1-Isoquinolinecarbonitrile is C10H6N2.
What is the molecular weight of 1-Isoquinolinecarbonitrile?
The molecular weight of 1-Isoquinolinecarbonitrile is 154.0531 g/mol.
Where can I buy 1-Isoquinolinecarbonitrile?
You can request a quote for 1-Isoquinolinecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Isoquinolinecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-Isoquinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.