3-(5-Pyridin-2-yl-tetrazol-2-yl)-benzonitrile

Base Information

• Chemical Name: 3-(5-Pyridin-2-yl-tetrazol-2-yl)-benzonitrile
• CAS No.: 507268-13-5
• Molecular Formula: C13H8N6
• DSSTox Substance ID: DTXSID70436690
• Nikkaji Number: J3.484.361I
• Wikidata: Q82251974
• Pharos Ligand ID: U12RN9YKK7W5
• ChEMBL ID: CHEMBL365499
• Mol file: 507268-13-5.mol

Synonyms:3-(5-pyridin-2-yl-2H-tetrazol-2-yl)benzonitrile;3-PT-BN cpd

Chemical Property of 3-(5-Pyridin-2-yl-tetrazol-2-yl)-benzonitrile

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 248.08104428
• Heavy Atom Count: 19
• Complexity: 350

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=NN(N=N2)C3=CC=CC(=C3)C#N