5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
TL;DR: 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile (CAS 876536-95-7) is a chemical compound with molecular formula C16H15N5O2 and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
Also Known As: 5-nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile, 5-NITRO-2-(4-PYRIDIN-2-YLPIPERAZIN-1-YL)-BENZONITRILE, 5-Nitro-2-(4-(pyridin-2-yl)piperazin-1-yl)benzonitrile, 5-nitro-2-[4-(pyridin-2-yl)piperazin-1-yl]benzonitrile, 5-nitro-2-[4-(2-pyridyl)piperazin-1-yl]benzonitrile
| Molecular Formula | C16H15N5O2 |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 2.18808 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.1226 |
| Heavy Atoms | 23 |
| Complexity | 748.8111 |
Chemical Identifiers
| CAS Number | 876536-95-7 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=N3 |
Product Overview
5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile (CAS 876536-95-7), with molecular formula C16H15N5O2 and molecular weight 309.12 g/mol. IUPAC: 5-nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile.
Chemical Property Profile of 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
Property Insights of 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
The XLogP value of 2.18808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile. Following Lipinski's Rule of Five, 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile has 0 hydrogen bond donor(s) and 6 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 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile?
The CAS number of 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile is 876536-95-7.
What is the molecular formula of 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile?
The molecular formula of 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile is C16H15N5O2.
What is the molecular weight of 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile?
The molecular weight of 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile is 309.12 g/mol.
Where can I buy 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile?
You can request a quote for 5-Nitro-2-(4-pyridin-2-ylpiperazin-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 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.