![1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium structure](/static/products/6511/65112-85-8.webp)
1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium
TL;DR: 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium (CAS 65112-85-8) is a chemical compound with molecular formula C12H9N5O6 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyridin-1-ium-3-yl)-(2,4,6-trinitrophenyl)azanide
Also Known As: 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium, (1-methylpyridin-5-yl)-(2,4,6-trinitrophenyl)azanide, (1-methylpyridin-1-ium-3-yl)-(2,4,6-trinitrophenyl)azanide
| Molecular Formula | C12H9N5O6 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 2.5726 |
| Topological Polar Surface Area | 147.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.0553 |
| Heavy Atoms | 23 |
| Complexity | 786.33374 |
Chemical Identifiers
| CAS Number | 65112-85-8 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)[N-]C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium (CAS 65112-85-8), with molecular formula C12H9N5O6 and molecular weight 319.06 g/mol. IUPAC: (1-methylpyridin-1-ium-3-yl)-(2,4,6-trinitrophenyl)azanide.
Chemical Property Profile of 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium
Property Insights of 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium
The XLogP value of 2.5726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium. The TPSA of 147.4 Ų indicates high polarity, suggesting 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium has 0 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 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium?
The CAS number of 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium is 65112-85-8.
What is the molecular formula of 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium?
The molecular formula of 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium is C12H9N5O6.
What is the molecular weight of 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium?
The molecular weight of 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium is 319.06 g/mol.
Where can I buy 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium?
You can request a quote for 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-[(2,4,6-trinitrophenyl)azanidyl]pyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.