2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate

C32H25ClN8O6Os — CID 139168101

IUPAC2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-]c1cccnc1-c1ncccc1O.[Os+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/2C11H9N3.C10H8N2O2.ClHO4.Os/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2-1(3,4)5;/h2*1-9H;1-6,13-14H;(H,2,3,4,5);/q;;;;+2/p-2/b2*14-13+;;;
InChIKeyBTSQXPURSYQAPI-GIEMIVQHSA-L
MW843.29 g/mol
LogP3.16
Rot. Bonds5

About 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate

2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate (PubChem CID 139168101) has the molecular formula C32H25ClN8O6Os and a molecular weight of 843.29 g/mol. Its IUPAC name is 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate.

Molecular Properties

Compound Name2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate
PubChem CID139168101
Molecular FormulaC32H25ClN8O6Os
Molecular Weight843.29 g/mol
Exact Mass844.12
IUPAC Name2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-]c1cccnc1-c1ncccc1O.[Os+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/2C11H9N3.C10H8N2O2.ClHO4.Os/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2-1(3,4)5;/h2*1-9H;1-6,13-14H;(H,2,3,4,5);/q;;;;+2/p-2/b2*14-13+;;;
InChIKeyBTSQXPURSYQAPI-GIEMIVQHSA-L
XLogP3.16
TPSA236.53 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms48
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate?
The IUPAC name of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate (CID 139168101) is 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate.
What is the SMILES notation for 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate?
The canonical SMILES for 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-]c1cccnc1-c1ncccc1O.[Os+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.
What is the InChIKey of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate?
The InChIKey is BTSQXPURSYQAPI-GIEMIVQHSA-L. The full InChI is InChI=1S/2C11H9N3.C10H8N2O2.ClHO4.Os/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2-1(3,4)5;/h2*1-9H;1-6,13-14H;(H,2,3,4,5);/q;;;;+2/p-2/b2*14-13+;;;.
What are the key properties of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate?
2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate has a molecular weight of 843.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate is sourced from PubChem (CID 139168101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).