2,4-dinitro-N-(pyridin-3-ylmethyl)aniline
TL;DR: 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline (CAS 311331-02-9) is a chemical compound with molecular formula C12H10N4O4 and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-N-(pyridin-3-ylmethyl)aniline
Also Known As: 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline, 3-({2,4-dinitroanilino}methyl)pyridine, BAS 00791873, (2,4-Dinitro-phenyl)-pyridin-3-ylmethyl-amine, (2,4-dinitrophenyl)(3-pyridylmethyl)amine
| Molecular Formula | C12H10N4O4 |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | 2.5101 |
| Topological Polar Surface Area | 111.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0702 |
| Heavy Atoms | 20 |
| Complexity | 645.1605 |
Chemical Identifiers
| CAS Number | 311331-02-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,4-dinitro-N-(pyridin-3-ylmethyl)aniline (CAS 311331-02-9), with molecular formula C12H10N4O4 and molecular weight 274.07 g/mol. IUPAC: 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline.
Chemical Property Profile of 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline
Property Insights of 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline
The XLogP value of 2.5101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline. The TPSA of 111.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline. Following Lipinski's Rule of Five, 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline has 1 hydrogen bond donor(s) and 6 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 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline?
The CAS number of 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline is 311331-02-9.
What is the molecular formula of 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline?
The molecular formula of 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline is C12H10N4O4.
What is the molecular weight of 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline?
The molecular weight of 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline is 274.07 g/mol.
Where can I buy 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline?
You can request a quote for 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dinitro-N-(pyridin-3-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.