bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate

C30H23BF4N6ORu — CID 139140066

IUPACbis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate
SMILESF[B-](F)(F)F.[O-]c1ccccc1-c1ncccn1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2O.2C10H8N2.BF4.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;2-1(3,4)5;/h1-7,13H;2*1-8H;;/q;;;-1;+2/p-1
InChIKeyMEOSLYOZPOAJHD-UHFFFAOYSA-M
MW671.43 g/mol
LogP6.80
Rot. Bonds3

About bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate

bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate (PubChem CID 139140066) has the molecular formula C30H23BF4N6ORu and a molecular weight of 671.43 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate.

Molecular Properties

Compound Namebis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate
PubChem CID139140066
Molecular FormulaC30H23BF4N6ORu
Molecular Weight671.43 g/mol
Exact Mass672.10
IUPAC Namebis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate
SMILESF[B-](F)(F)F.[O-]c1ccccc1-c1ncccn1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2O.2C10H8N2.BF4.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;2-1(3,4)5;/h1-7,13H;2*1-8H;;/q;;;-1;+2/p-1
InChIKeyMEOSLYOZPOAJHD-UHFFFAOYSA-M
XLogP6.80
TPSA100.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.43
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,5-Dipyridin-2-ylbenzene-4-id-1-yl)-3,5-di(propan-2-yl)phenyl]pyrimidine;iridium;2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 171438726
2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate
CID 139140064
bis(acetonitrile);2-(1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride
CID 139140065
2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;bis(2-pyridin-2-ylpyridine);ruthenium(3+);ditetrafluoroborate
CID 139140067
Bis(2-pyridin-2-ylpyridine);ruthenium(3+);2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolate;ditetrafluoroborate
CID 139140068
Acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 139140069
Bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium
CID 139162542
2-[2-(1H-imidazol-4-yl)ethyliminomethyl]phenolate;oxygen(2-);2-pyridin-2-ylpyridine;vanadium(4+);hexafluorophosphate
CID 139167577
2-pyridin-4-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914038
2-pyridin-3-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914039
2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914044
CID 57755194
CID 57755194

Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate?
The IUPAC name of bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate (CID 139140066) is bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate.
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate is F[B-](F)(F)F.[O-]c1ccccc1-c1ncccn1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate?
The InChIKey is MEOSLYOZPOAJHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8N2O.2C10H8N2.BF4.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;2-1(3,4)5;/h1-7,13H;2*1-8H;;/q;;;-1;+2/p-1.
What are the key properties of bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate?
bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate has a molecular weight of 671.43 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylphenolate;ruthenium(2+);tetrafluoroborate is sourced from PubChem (CID 139140066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).