3-(1H-pyrrol-1-yl)benzonitrile
TL;DR: 3-(1H-pyrrol-1-yl)benzonitrile (CAS 175134-98-2) is a chemical compound with molecular formula C11H8N2 and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrol-1-ylbenzonitrile
Also Known As: 3-(1H-pyrrol-1-yl)benzonitrile, N-(3-Cyanophenyl)pyrrole, 3-pyrrol-1-ylbenzonitrile, 3'-Hydroxypropiophenone, Maybridge1_000609
| Molecular Formula | C11H8N2 |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 2.34898 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.06874 |
| Heavy Atoms | 13 |
| Complexity | 435.3639 |
Chemical Identifiers
| CAS Number | 175134-98-2 |
|---|---|
| SMILES | C1=CN(C=C1)C2=CC=CC(=C2)C#N |
Product Overview
3-(1H-pyrrol-1-yl)benzonitrile (CAS 175134-98-2), with molecular formula C11H8N2 and molecular weight 168.07 g/mol. IUPAC: 3-pyrrol-1-ylbenzonitrile.
Chemical Property Profile of 3-(1H-pyrrol-1-yl)benzonitrile
Property Insights of 3-(1H-pyrrol-1-yl)benzonitrile
The XLogP value of 2.34898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-pyrrol-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 28.72 Ų, 3-(1H-pyrrol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-pyrrol-1-yl)benzonitrile has 0 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 3-(1H-pyrrol-1-yl)benzonitrile?
The CAS number of 3-(1H-pyrrol-1-yl)benzonitrile is 175134-98-2.
What is the molecular formula of 3-(1H-pyrrol-1-yl)benzonitrile?
The molecular formula of 3-(1H-pyrrol-1-yl)benzonitrile is C11H8N2.
What is the molecular weight of 3-(1H-pyrrol-1-yl)benzonitrile?
The molecular weight of 3-(1H-pyrrol-1-yl)benzonitrile is 168.07 g/mol.
Where can I buy 3-(1H-pyrrol-1-yl)benzonitrile?
You can request a quote for 3-(1H-pyrrol-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-pyrrol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-pyrrol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.