1H-pyrrole-3-carbonitrile
TL;DR: 1H-pyrrole-3-carbonitrile (CAS 7154-87-2) is a chemical compound with molecular formula C5H4N2 and molecular weight 92.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrrole-3-carbonitrile
Also Known As: 1H-Pyrrole-3-carbonitrile, 3-Cyanopyrrole, pyrrole-3-carbonitrile, 3-cyano-1H-pyrole, 3-Cyano-1H-pyrrole
| Molecular Formula | C5H4N2 |
|---|---|
| Molecular Weight | 92.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 92.037445 |
| Heavy Atoms | 7 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 7154-87-2 |
|---|---|
| SMILES | C1=CNC=C1C#N |
| InChIKey | PCYWMDGJYQAMCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-pyrrole-3-carbonitrile (CAS 7154-87-2), with molecular formula C5H4N2 and molecular weight 92.04 g/mol. IUPAC: 1H-pyrrole-3-carbonitrile.
Chemical Property Profile of 1H-pyrrole-3-carbonitrile
Property Insights of 1H-pyrrole-3-carbonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-pyrrole-3-carbonitrile. With a topological polar surface area (TPSA) of 39.6 Ų, 1H-pyrrole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-pyrrole-3-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
Frequently Asked Questions
What is the CAS number of 1H-pyrrole-3-carbonitrile?
The CAS number of 1H-pyrrole-3-carbonitrile is 7154-87-2.
What is the molecular formula of 1H-pyrrole-3-carbonitrile?
The molecular formula of 1H-pyrrole-3-carbonitrile is C5H4N2.
What is the molecular weight of 1H-pyrrole-3-carbonitrile?
The molecular weight of 1H-pyrrole-3-carbonitrile is 92.04 g/mol.
Where can I buy 1H-pyrrole-3-carbonitrile?
You can request a quote for 1H-pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.