1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile
TL;DR: 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile (CAS 671191-99-4) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile
Also Known As: 1-(3-nitropyridin-2-yl)piperidine-4-carbonitrile, 2-(4-Cyanopiperidin-1-yl)-3-nitropyridine, 1-(3-nitro-2-pyridyl)piperidine-4-carbonitrile, 1-(3-NITRO(PYRIDIN-2-YL))PIPERIDINE-4-CARBONITRILE, RefChem:224582
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 1.72978 |
| Topological Polar Surface Area | 83.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 460.7844 |
Chemical Identifiers
| CAS Number | 671191-99-4 |
|---|---|
| SMILES | C1CN(CCC1C#N)C2=C(C=CC=N2)[N+](=O)[O-] |
Product Overview
1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile (CAS 671191-99-4), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: 1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile.
Chemical Property Profile of 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile
Property Insights of 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile
The XLogP value of 1.72978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile. The TPSA of 83.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile. Following Lipinski's Rule of Five, 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile has 0 hydrogen bond donor(s) and 5 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 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile?
The CAS number of 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile is 671191-99-4.
What is the molecular formula of 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile?
The molecular formula of 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile is C11H12N4O2.
What is the molecular weight of 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile?
The molecular weight of 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile is 232.10 g/mol.
Where can I buy 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile?
You can request a quote for 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.