Pyrrole-2-carbonitrile
TL;DR: Pyrrole-2-carbonitrile (CAS 1446443-06-6) is a chemical compound with molecular formula C5H4N2 and molecular weight 92.037445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-pyrrole-2-carbonitrile
Also Known As: Pyrrole-2-carbonitrile, 1H-Pyrrole-2-carbonitrile, 2-cyanopyrrole, cyanopyrrole, 2-cyano-pyrrol
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H4N2 |
| Molecular Weight | 92.037445 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 92.037445 Da |
| Heavy Atoms | 7 |
| Complexity | 99.0 |
| SMILES | C1=CNC(=C1)C#N |
| InChIKey | BQMPGKPTOHKYHS-UHFFFAOYSA-N |
Chemical Property Profile of Pyrrole-2-carbonitrile
Property Insights of Pyrrole-2-carbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole-2-carbonitrile. With a topological polar surface area (TPSA) of 39.6 Ų, Pyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrole-2-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 Pyrrole-2-carbonitrile?
The CAS number of Pyrrole-2-carbonitrile is 1446443-06-6.
What is the molecular formula of Pyrrole-2-carbonitrile?
The molecular formula of Pyrrole-2-carbonitrile is C5H4N2.
What is the molecular weight of Pyrrole-2-carbonitrile?
The molecular weight of Pyrrole-2-carbonitrile is 92.037445 g/mol.
Where can I buy Pyrrole-2-carbonitrile?
You can request a quote for Pyrrole-2-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrole-2-carbonitrile?
Yes, CoreyChem provides custom synthesis services for Pyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.