2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate

C30H29BF4N6O2Ru — CID 139140064

About 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate

2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate (PubChem CID 139140064) has the molecular formula C30H29BF4N6O2Ru and a molecular weight of 693.48 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate.

Molecular Properties

• Compound Name: 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate
• PubChem CID: 139140064
• Molecular Formula: C30H29BF4N6O2Ru
• Molecular Weight: 693.48 g/mol
• Exact Mass: 694.14
• IUPAC Name: 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate
• SMILES: CO.F[B-](F)(F)F.[O-]c1ccccc1C1=NCCN1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/2C10H8N2.C9H10N2O.CH4O.BF4.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-8-4-2-1-3-7(8)9-10-5-6-11-9;1-2;2-1(3,4)5;/h2*1-8H;1-4,12H,5-6H2,(H,10,11);2H,1H3;;/q;;;;-1;+2/p-1
• InChIKey: VUVSQWAKKZQCTH-UHFFFAOYSA-M
• XLogP: 5.30
• TPSA: 119.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.48
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate?

The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate (CID 139140064) is 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate.

What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate?

The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate is CO.F[B-](F)(F)F.[O-]c1ccccc1C1=NCCN1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate?

The InChIKey is VUVSQWAKKZQCTH-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H8N2.C9H10N2O.CH4O.BF4.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-8-4-2-1-3-7(8)9-10-5-6-11-9;1-2;2-1(3,4)5;/h2*1-8H;1-4,12H,5-6H2,(H,10,11);2H,1H3;;/q;;;;-1;+2/p-1.

What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate?

2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate has a molecular weight of 693.48 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate is sourced from PubChem (CID 139140064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).