1-(5-Nitropyridin-2-yl)benzotriazole
TL;DR: 1-(5-Nitropyridin-2-yl)benzotriazole (CAS 13174-96-4) is a chemical compound with molecular formula C11H7N5O2 and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitro-2-pyridinyl)benzotriazole
Also Known As: 1-(5-nitropyridin-2-yl)benzotriazole, 1-(5-nitro-2-pyridyl)benzotriazole, 1-(5-nitro-2-pyridinyl)-1H-benzotriazole, 1-(5-Nitro-2-pyridyl)-1H-benzotriazole, BIM-0003732.P001
| Molecular Formula | C11H7N5O2 |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.05997 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 13174-96-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C3=NC=C(C=C3)[N+](=O)[O-] |
| InChIKey | PPIGGSPZOUERAQ-UHFFFAOYSA-N |
Product Overview
1-(5-Nitropyridin-2-yl)benzotriazole (CAS 13174-96-4), with molecular formula C11H7N5O2 and molecular weight 241.06 g/mol. IUPAC: 1-(5-nitro-2-pyridinyl)benzotriazole.
Chemical Property Profile of 1-(5-Nitropyridin-2-yl)benzotriazole
Property Insights of 1-(5-Nitropyridin-2-yl)benzotriazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Nitropyridin-2-yl)benzotriazole. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Nitropyridin-2-yl)benzotriazole. Following Lipinski's Rule of Five, 1-(5-Nitropyridin-2-yl)benzotriazole 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 1-(5-Nitropyridin-2-yl)benzotriazole?
The CAS number of 1-(5-Nitropyridin-2-yl)benzotriazole is 13174-96-4.
What is the molecular formula of 1-(5-Nitropyridin-2-yl)benzotriazole?
The molecular formula of 1-(5-Nitropyridin-2-yl)benzotriazole is C11H7N5O2.
What is the molecular weight of 1-(5-Nitropyridin-2-yl)benzotriazole?
The molecular weight of 1-(5-Nitropyridin-2-yl)benzotriazole is 241.06 g/mol.
Where can I buy 1-(5-Nitropyridin-2-yl)benzotriazole?
You can request a quote for 1-(5-Nitropyridin-2-yl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Nitropyridin-2-yl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Nitropyridin-2-yl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.