4-chloro-2-(1H-pyrrol-1-yl)benzonitrile
TL;DR: 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile (CAS 862595-50-4) is a chemical compound with molecular formula C11H7ClN2 and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-pyrrol-1-ylbenzonitrile
Also Known As: 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile, 4-chloro-2-pyrrol-1-ylbenzonitrile, 4-chloro-2-pyrrol-1-yl-benzonitrile, Benzonitrile, 4-chloro-2-(1H-pyrrol-1-yl)-, 4-chloro-2-(1H-pyrrol-1-yl)benzenecarbonitrile
| Molecular Formula | C11H7ClN2 |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 3.00238 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.02977 |
| Heavy Atoms | 14 |
| Complexity | 480.4838 |
Chemical Identifiers
| CAS Number | 862595-50-4 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(C=CC(=C2)Cl)C#N |
Product Overview
4-chloro-2-(1H-pyrrol-1-yl)benzonitrile (CAS 862595-50-4), with molecular formula C11H7ClN2 and molecular weight 202.03 g/mol. IUPAC: 4-chloro-2-pyrrol-1-ylbenzonitrile.
Chemical Property Profile of 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile
Property Insights of 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile
The XLogP value of 3.00238 indicates that 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.72 Ų, 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-2-(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 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile?
The CAS number of 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile is 862595-50-4.
What is the molecular formula of 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile?
The molecular formula of 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile is C11H7ClN2.
What is the molecular weight of 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile?
The molecular weight of 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile is 202.03 g/mol.
Where can I buy 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile?
You can request a quote for 4-chloro-2-(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 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-(1H-pyrrol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.