bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate

C30H27B2F8N6ORu — CID 139140068

About bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate

bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate (PubChem CID 139140068) has the molecular formula C30H27B2F8N6ORu and a molecular weight of 762.27 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate.

Molecular Properties

• Compound Name: bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate
• PubChem CID: 139140068
• Molecular Formula: C30H27B2F8N6ORu
• Molecular Weight: 762.27 g/mol
• Exact Mass: 763.13
• IUPAC Name: bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate
• SMILES: F[B-](F)(F)F.F[B-](F)(F)F.[O-]c1ccccc1C1=NCCCN1.[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C10H12N2O.2C10H8N2.2BF4.Ru/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h1-2,4-5,13H,3,6-7H2,(H,11,12);2*1-8H;;;/q;;;2*-1;+3/p-1
• InChIKey: YODOJMAGULQVBG-UHFFFAOYSA-M
• XLogP: 7.38
• TPSA: 99.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.27
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate?

The IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate (CID 139140068) is bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate.

What is the SMILES notation for bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate?

The canonical SMILES for bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[O-]c1ccccc1C1=NCCCN1.[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate?

The InChIKey is YODOJMAGULQVBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O.2C10H8N2.2BF4.Ru/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h1-2,4-5,13H,3,6-7H2,(H,11,12);2*1-8H;;;/q;;;2*-1;+3/p-1.

What are the key properties of bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate?

bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate has a molecular weight of 762.27 g/mol, XLogP of 7.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate is sourced from PubChem (CID 139140068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).