1H-indole-6-carbonitrile
TL;DR: 1H-indole-6-carbonitrile (CAS 15861-36-6) is a chemical compound with molecular formula C9H6N2 and molecular weight 142.0531 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-indole-6-carbonitrile
Also Known As: 6-Cyanoindole, 1H-Indole-6-carbonitrile, 6-Indolecarbonitrile, indole-6-carbonitrile, 6-Cyano-1H-indole
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6N2 |
| Molecular Weight | 142.0531 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.0531 Da |
| Heavy Atoms | 11 |
| Complexity | 191.0 |
| SMILES | C1=CC(=CC2=C1C=CN2)C#N |
| InChIKey | SZSZDBFJCQKTRG-UHFFFAOYSA-N |
Chemical Property Profile of 1H-indole-6-carbonitrile
Property Insights of 1H-indole-6-carbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-indole-6-carbonitrile. With a topological polar surface area (TPSA) of 39.6 Ų, 1H-indole-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-indole-6-carbonitrile has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-indole-6-carbonitrile?
The CAS number of 1H-indole-6-carbonitrile is 15861-36-6.
What is the molecular formula of 1H-indole-6-carbonitrile?
The molecular formula of 1H-indole-6-carbonitrile is C9H6N2.
What is the molecular weight of 1H-indole-6-carbonitrile?
The molecular weight of 1H-indole-6-carbonitrile is 142.0531 g/mol.
Where can I buy 1H-indole-6-carbonitrile?
You can request a quote for 1H-indole-6-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-indole-6-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1H-indole-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.