5-ethyl-1H-pyrrole-2-carbonitrile
TL;DR: 5-ethyl-1H-pyrrole-2-carbonitrile (CAS 159326-76-8) is a chemical compound with molecular formula C7H8N2 and molecular weight 120.06875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-1H-pyrrole-2-carbonitrile
Also Known As: 5-ethyl-1H-pyrrole-2-carbonitrile, 1-aminopyrrole-2-carboxamide, 1H-Pyrrole-2-carbonitrile, 5-ethyl-, Y-8151
Technical Specifications
| Molecular Formula | C7H8N2 |
| Molecular Weight | 120.06875 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.06875 Da |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
| SMILES | CCC1=CC=C(N1)C#N |
| InChIKey | JJHPJKNNGFQBAL-UHFFFAOYSA-N |
Chemical Property Profile of 5-ethyl-1H-pyrrole-2-carbonitrile
Property Insights of 5-ethyl-1H-pyrrole-2-carbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-ethyl-1H-pyrrole-2-carbonitrile. With a topological polar surface area (TPSA) of 39.6 Ų, 5-ethyl-1H-pyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethyl-1H-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 5-ethyl-1H-pyrrole-2-carbonitrile?
The CAS number of 5-ethyl-1H-pyrrole-2-carbonitrile is 159326-76-8.
What is the molecular formula of 5-ethyl-1H-pyrrole-2-carbonitrile?
The molecular formula of 5-ethyl-1H-pyrrole-2-carbonitrile is C7H8N2.
What is the molecular weight of 5-ethyl-1H-pyrrole-2-carbonitrile?
The molecular weight of 5-ethyl-1H-pyrrole-2-carbonitrile is 120.06875 g/mol.
Where can I buy 5-ethyl-1H-pyrrole-2-carbonitrile?
You can request a quote for 5-ethyl-1H-pyrrole-2-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-ethyl-1H-pyrrole-2-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-ethyl-1H-pyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.