Pyridine, 2-((4-nitrophenyl)methyl)-
TL;DR: Pyridine, 2-((4-nitrophenyl)methyl)- (CAS 620-87-1) 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.
2-[(4-nitrophenyl)methyl]pyridine
Also Known As: 2-(p-Nitrobenzyl)pyridine, 2-(4-Nitrobenzyl)pyridine, 2-[(4-nitrophenyl)methyl]pyridine, 4-Nitrobenzylpyridine, Pyridine, 2-(p-nitrobenzyl)-
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.6 |
| 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 | 232.0 |
| Solubility | >32.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 620-87-1 |
|---|---|
| SMILES | C1=CC=NC(=C1)CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | YBRDBYGCEIDLBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridine, 2-((4-nitrophenyl)methyl)- (CAS 620-87-1), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 2-[(4-nitrophenyl)methyl]pyridine.
Chemical Property Profile of Pyridine, 2-((4-nitrophenyl)methyl)-
Property Insights of Pyridine, 2-((4-nitrophenyl)methyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 2-((4-nitrophenyl)methyl)-. With a topological polar surface area (TPSA) of 58.7 Ų, Pyridine, 2-((4-nitrophenyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 2-((4-nitrophenyl)methyl)- 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 Pyridine, 2-((4-nitrophenyl)methyl)-?
The CAS number of Pyridine, 2-((4-nitrophenyl)methyl)- is 620-87-1.
What is the molecular formula of Pyridine, 2-((4-nitrophenyl)methyl)-?
The molecular formula of Pyridine, 2-((4-nitrophenyl)methyl)- is C12H10N2O2.
What is the molecular weight of Pyridine, 2-((4-nitrophenyl)methyl)-?
The molecular weight of Pyridine, 2-((4-nitrophenyl)methyl)- is 214.07 g/mol.
Where can I buy Pyridine, 2-((4-nitrophenyl)methyl)-?
You can request a quote for Pyridine, 2-((4-nitrophenyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 2-((4-nitrophenyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 2-((4-nitrophenyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.