tris(2-(pyridin-2-yl)pyridine); dichlororuthenium

• ChemBase ID: 112811
• Molecular Formular: C30H24Cl2N6Ru
• Molecular Mass: 640.52776
• Monoisotopic Mass: 640.04829916
• SMILES: Cl[Ru]Cl.c1cnc(cc1)c1ncccc1.c1cnc(cc1)c1ncccc1.c1cnc(cc1)c1ncccc1
• Canonical SMILES: c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.Cl[Ru]Cl
• InChI: InChI=1S/3C10H8N2.2ClH.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2
• InChIKey: SJFYGUKHUNLZTK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-(pyridin-2-yl)pyridine); dichlororuthenium
• IUPAC Traditional name: tris(bipyridyl); dichlororuthenium
• Synonyms: RUTHENIUM TRIS(2,2'-BIPYRIDYL)CHLORIDE

Database IDs

• PubChem SID: 162106793
• PubChem CID: 10908382

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9542185
• LogD (pH = 7.4): 1.956794
• Log P: 1.9568269
• Molar Refractivity: 46.1364 cm^3
• Polarizability: 19.578226 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05225957

MP Biomedicals Rare Chemical collection