3-Formyl-1H-indole-5-carbonitrile
TL;DR: 3-Formyl-1H-indole-5-carbonitrile (CAS 17380-18-6) is a chemical compound with molecular formula C10H6N2O and molecular weight 170.04802 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-formyl-1H-indole-5-carbonitrile
Also Known As: 3-formyl-1H-indole-5-carbonitrile, 5-Cyanoindole-3-carboxyaldehyde, 5-Cyanoindole-3-carboxaldehyde, 3-Formylindole-5-carbonitrile, 5-Cyano-3-formyl indole
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H6N2O |
| Molecular Weight | 170.04802 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04802 Da |
| Heavy Atoms | 13 |
| Complexity | 255.0 |
| SMILES | C1=CC2=C(C=C1C#N)C(=CN2)C=O |
| InChIKey | NVBCFOQYDFKXJJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Formyl-1H-indole-5-carbonitrile
Property Insights of 3-Formyl-1H-indole-5-carbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Formyl-1H-indole-5-carbonitrile. With a topological polar surface area (TPSA) of 56.7 Ų, 3-Formyl-1H-indole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Formyl-1H-indole-5-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
What is the CAS number of 3-Formyl-1H-indole-5-carbonitrile?
The CAS number of 3-Formyl-1H-indole-5-carbonitrile is 17380-18-6.
What is the molecular formula of 3-Formyl-1H-indole-5-carbonitrile?
The molecular formula of 3-Formyl-1H-indole-5-carbonitrile is C10H6N2O.
What is the molecular weight of 3-Formyl-1H-indole-5-carbonitrile?
The molecular weight of 3-Formyl-1H-indole-5-carbonitrile is 170.04802 g/mol.
Where can I buy 3-Formyl-1H-indole-5-carbonitrile?
You can request a quote for 3-Formyl-1H-indole-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Formyl-1H-indole-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-Formyl-1H-indole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.