(4-Nitrophenyl)methyl pyridine-2-carboxylate
TL;DR: (4-Nitrophenyl)methyl pyridine-2-carboxylate (CAS 479049-71-3) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl pyridine-2-carboxylate
Also Known As: 4-nitrobenzyl picolinate, 4-nitrobenzyl pyridine-2-carboxylate, (4-nitrophenyl)methyl pyridine-2-carboxylate, 4-nitrobenzyl 2-pyridinecarboxylate, Pyridine-2-carboxylic acid, 4-nitro-benzyl ester
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 479049-71-3 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | VZLAOZFWLRTVNX-UHFFFAOYSA-N |
Product Overview
(4-Nitrophenyl)methyl pyridine-2-carboxylate (CAS 479049-71-3), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: (4-nitrophenyl)methyl pyridine-2-carboxylate.
Chemical Property Profile of (4-Nitrophenyl)methyl pyridine-2-carboxylate
Property Insights of (4-Nitrophenyl)methyl pyridine-2-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl)methyl pyridine-2-carboxylate. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)methyl pyridine-2-carboxylate. Following Lipinski's Rule of Five, (4-Nitrophenyl)methyl pyridine-2-carboxylate 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 (4-Nitrophenyl)methyl pyridine-2-carboxylate?
The CAS number of (4-Nitrophenyl)methyl pyridine-2-carboxylate is 479049-71-3.
What is the molecular formula of (4-Nitrophenyl)methyl pyridine-2-carboxylate?
The molecular formula of (4-Nitrophenyl)methyl pyridine-2-carboxylate is C13H10N2O4.
What is the molecular weight of (4-Nitrophenyl)methyl pyridine-2-carboxylate?
The molecular weight of (4-Nitrophenyl)methyl pyridine-2-carboxylate is 258.06 g/mol.
Where can I buy (4-Nitrophenyl)methyl pyridine-2-carboxylate?
You can request a quote for (4-Nitrophenyl)methyl pyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)methyl pyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)methyl pyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.