2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+)

C20H21N2O6Ru — CID 139141169

IUPAC2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+)
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[O-]c1cccnc1-c1ncccc1O.[Ru+3]
InChIInChI=1S/C10H8N2O2.2C5H8O2.Ru/c13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2*1-4(6)3-5(2)7;/h1-6,13-14H;2*3,6H,1-2H3;/q;;;+3/p-3/b;2*4-3-;
InChIKeyACJRLLCJPXIFGR-QDMRRLORSA-K
MW486.47 g/mol
LogP0.60
Rot. Bonds3

About 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+)

2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+) (PubChem CID 139141169) has the molecular formula C20H21N2O6Ru and a molecular weight of 486.47 g/mol. Its IUPAC name is 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+).

Molecular Properties

Compound Name2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+)
PubChem CID139141169
Molecular FormulaC20H21N2O6Ru
Molecular Weight486.47 g/mol
Exact Mass487.04
IUPAC Name2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+)
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[O-]c1cccnc1-c1ncccc1O.[Ru+3]
InChIInChI=1S/C10H8N2O2.2C5H8O2.Ru/c13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2*1-4(6)3-5(2)7;/h1-6,13-14H;2*3,6H,1-2H3;/q;;;+3/p-3/b;2*4-3-;
InChIKeyACJRLLCJPXIFGR-QDMRRLORSA-K
XLogP0.60
TPSA149.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.47
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2'-Bipyridine-3,3'-diol
CID 534031
2-[[4-[(3-Hydroxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-3-ol
CID 145980227
2,2'-Bipyridine-5,5'-diol
CID 135830900
Hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid
CID 168355673
[2,2'-Bipyridin]-3-ol
CID 135496812
[2,2'-Bipyridin]-5-OL
CID 599040
2-(3-Hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate
CID 139142293
2-(3-Hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate
CID 139142294
3'-Hydroxy-2,2'-bipyridin-3-yl methyl hexylphosphonate
CID 145706522
Aquabis(3'-hydroxy-2,2'-bipyridine-3-olato-kappa^2^N,N')zinc(II)
CID 168309514
Dicopper;dioxidanium;bis(2-(3-hydroxy-2-pyridinyl)pyridin-3-olate);diacetate
CID 168347217
2-(5-Fluoro-2-pyridinyl)pyridin-3-ol
CID 140696118

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+)?
The IUPAC name of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+) (CID 139141169) is 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+).
What is the SMILES notation for 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+)?
The canonical SMILES for 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+) is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[O-]c1cccnc1-c1ncccc1O.[Ru+3].
What is the InChIKey of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+)?
The InChIKey is ACJRLLCJPXIFGR-QDMRRLORSA-K. The full InChI is InChI=1S/C10H8N2O2.2C5H8O2.Ru/c13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2*1-4(6)3-5(2)7;/h1-6,13-14H;2*3,6H,1-2H3;/q;;;+3/p-3/b;2*4-3-;.
What are the key properties of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+)?
2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+) has a molecular weight of 486.47 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+) is sourced from PubChem (CID 139141169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).