2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile
TL;DR: 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile (CAS 418762-89-7) 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.
2-chloro-6-pyrrol-1-ylbenzonitrile
Also Known As: 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile, Maybridge3_000996, 2-chloro-6-pyrrol-1-ylbenzonitrile, 2-chloro-6-(1H-pyrrol-1-yl)benzenecarbonitrile, 1-(3'chloro-2'-cyanophenyl)pyrrole
| Molecular Formula | C11H7ClN2 |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.02977 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 418762-89-7 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(C(=CC=C2)Cl)C#N |
| InChIKey | OSROJQITBWZVDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile (CAS 418762-89-7), with molecular formula C11H7ClN2 and molecular weight 202.03 g/mol. IUPAC: 2-chloro-6-pyrrol-1-ylbenzonitrile.
Chemical Property Profile of 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile
Property Insights of 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 28.7 Ų, 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-(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 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile?
The CAS number of 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile is 418762-89-7.
What is the molecular formula of 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile?
The molecular formula of 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile is C11H7ClN2.
What is the molecular weight of 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile?
The molecular weight of 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile is 202.03 g/mol.
Where can I buy 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile?
You can request a quote for 2-Chloro-6-(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 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-(1H-pyrrol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.