N-(4-picolyl)-4-nitroaniline
TL;DR: N-(4-picolyl)-4-nitroaniline (CAS 749872-65-9) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(pyridin-4-ylmethyl)aniline
Also Known As: N-(4-picolyl)-4-nitroaniline, 4-nitro-N-(pyridin-4-ylmethyl)aniline, N-(4-Nitrophenyl)pyridine-4-methaneamine, 4-nitro-N-[(pyridin-4-yl)methyl]aniline, J2.761.528G
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 2.6019 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 496.919 |
Chemical Identifiers
| CAS Number | 749872-65-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NCC2=CC=NC=C2)[N+](=O)[O-] |
Product Overview
N-(4-picolyl)-4-nitroaniline (CAS 749872-65-9), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: 4-nitro-N-(pyridin-4-ylmethyl)aniline.
Chemical Property Profile of N-(4-picolyl)-4-nitroaniline
Property Insights of N-(4-picolyl)-4-nitroaniline
The XLogP value of 2.6019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-picolyl)-4-nitroaniline. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-picolyl)-4-nitroaniline. Following Lipinski's Rule of Five, N-(4-picolyl)-4-nitroaniline has 1 hydrogen bond donor(s) and 4 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 N-(4-picolyl)-4-nitroaniline?
The CAS number of N-(4-picolyl)-4-nitroaniline is 749872-65-9.
What is the molecular formula of N-(4-picolyl)-4-nitroaniline?
The molecular formula of N-(4-picolyl)-4-nitroaniline is C12H11N3O2.
What is the molecular weight of N-(4-picolyl)-4-nitroaniline?
The molecular weight of N-(4-picolyl)-4-nitroaniline is 229.09 g/mol.
Where can I buy N-(4-picolyl)-4-nitroaniline?
You can request a quote for N-(4-picolyl)-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-picolyl)-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-picolyl)-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.