2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate

C30H23ClN6O6Os — CID 139142293

IUPAC2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-]c1cccnc1-c1ncccc1O.[Os+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2O2.2C10H8N2.ClHO4.Os/c13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;/h1-6,13-14H;2*1-8H;(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyRSWMSPCSBHHTJB-UHFFFAOYSA-L
MW789.23 g/mol
LogP0.45
Rot. Bonds3

About 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate

2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate (PubChem CID 139142293) has the molecular formula C30H23ClN6O6Os and a molecular weight of 789.23 g/mol. Its IUPAC name is 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate.

Molecular Properties

Compound Name2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate
PubChem CID139142293
Molecular FormulaC30H23ClN6O6Os
Molecular Weight789.23 g/mol
Exact Mass790.10
IUPAC Name2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-]c1cccnc1-c1ncccc1O.[Os+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2O2.2C10H8N2.ClHO4.Os/c13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;/h1-6,13-14H;2*1-8H;(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyRSWMSPCSBHHTJB-UHFFFAOYSA-L
XLogP0.45
TPSA212.87 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms44
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate?
The IUPAC name of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate (CID 139142293) is 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate.
What is the SMILES notation for 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate?
The canonical SMILES for 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-]c1cccnc1-c1ncccc1O.[Os+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate?
The InChIKey is RSWMSPCSBHHTJB-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2O2.2C10H8N2.ClHO4.Os/c13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;/h1-6,13-14H;2*1-8H;(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate?
2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate has a molecular weight of 789.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate is sourced from PubChem (CID 139142293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).