1-(3-Nitro-4-pyridinyl)benzotriazole
TL;DR: 1-(3-Nitro-4-pyridinyl)benzotriazole (CAS 109073-14-5) is a chemical compound with molecular formula C11H7N5O2 and molecular weight 241.05997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-nitro-4-pyridinyl)benzotriazole
Also Known As: 1-(3-nitropyridin-4-yl)benzotriazole, NCI60_005012, 1-(3-nitropyridin-4-yl)-1H-benzotriazole, 1-(3-nitro-4-pyridyl)-benzo-1,2,3-triazole
Technical Specifications
| Molecular Formula | C11H7N5O2 |
| Molecular Weight | 241.05997 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 89.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.05997 Da |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2C3=C(C=NC=C3)[N+](=O)[O-] |
| InChIKey | FPSSUUZYVJXKOZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Nitro-4-pyridinyl)benzotriazole
Property Insights of 1-(3-Nitro-4-pyridinyl)benzotriazole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitro-4-pyridinyl)benzotriazole. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitro-4-pyridinyl)benzotriazole. Following Lipinski's Rule of Five, 1-(3-Nitro-4-pyridinyl)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
What is the CAS number of 1-(3-Nitro-4-pyridinyl)benzotriazole?
The CAS number of 1-(3-Nitro-4-pyridinyl)benzotriazole is 109073-14-5.
What is the molecular formula of 1-(3-Nitro-4-pyridinyl)benzotriazole?
The molecular formula of 1-(3-Nitro-4-pyridinyl)benzotriazole is C11H7N5O2.
What is the molecular weight of 1-(3-Nitro-4-pyridinyl)benzotriazole?
The molecular weight of 1-(3-Nitro-4-pyridinyl)benzotriazole is 241.05997 g/mol.
Where can I buy 1-(3-Nitro-4-pyridinyl)benzotriazole?
You can request a quote for 1-(3-Nitro-4-pyridinyl)benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Nitro-4-pyridinyl)benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-(3-Nitro-4-pyridinyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.