4-(4-Nitrobenzyl)pyridine
TL;DR: 4-(4-Nitrobenzyl)pyridine (CAS 1083-48-3) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)methyl]pyridine
Also Known As: 4-(4-Nitrobenzyl)pyridine, 4-[(4-nitrophenyl)methyl]pyridine, 4-(p-Nitrobenzyl)pyridine, 4-Nitrobenzylpyridine, nitrobenzylpyridine
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 1083-48-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-] |
| InChIKey | MNHKUCBXXMFQDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Nitrobenzyl)pyridine (CAS 1083-48-3), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 4-[(4-nitrophenyl)methyl]pyridine.
Chemical Property Profile of 4-(4-Nitrobenzyl)pyridine
Property Insights of 4-(4-Nitrobenzyl)pyridine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Nitrobenzyl)pyridine. With a topological polar surface area (TPSA) of 58.7 Ų, 4-(4-Nitrobenzyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Nitrobenzyl)pyridine has 0 hydrogen bond donor(s) and 3 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-(4-Nitrobenzyl)pyridine?
The CAS number of 4-(4-Nitrobenzyl)pyridine is 1083-48-3.
What is the molecular formula of 4-(4-Nitrobenzyl)pyridine?
The molecular formula of 4-(4-Nitrobenzyl)pyridine is C12H10N2O2.
What is the molecular weight of 4-(4-Nitrobenzyl)pyridine?
The molecular weight of 4-(4-Nitrobenzyl)pyridine is 214.07 g/mol.
Where can I buy 4-(4-Nitrobenzyl)pyridine?
You can request a quote for 4-(4-Nitrobenzyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Nitrobenzyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Nitrobenzyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.