iron(2+) ion tris(2-(pyridin-2-yl)pyridine) diperchlorate

• ChemBase ID: 107879
• Molecular Formular: C30H24Cl2FeN6O8
• Molecular Mass: 723.29796
• Monoisotopic Mass: 722.03820462
• SMILES: [Fe+2].[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1
• Canonical SMILES: c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Fe+2]
• InChI: InChI=1S/3C10H8N2.2ClHO4.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2
• InChIKey: JJFYRRXOZJMNFC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(2+) ion tris(2-(pyridin-2-yl)pyridine) diperchlorate
• IUPAC Traditional name: iron ion(2+) tris(bipyridyl) diperchlorate ion
• Synonyms: 2,2'-BIPYRIDINE FERROUS PERCHLORATE

Database IDs

• CAS Number: 15388-48-4
• EC Number: 239-412-2
• PubChem SID: 162089112
• PubChem CID: 84889

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

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

Product Information

• Grade: USP