manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate

C20H18Cl2MnN4O10 — CID 11061040

IUPACmanganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
SMILESO.O.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(-c3cccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C20H14N4.2ClHO4.Mn.2H2O/c1-3-13-21-15(7-1)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22-16;2*2-1(3,4)5;;;/h1-14H;2*(H,2,3,4,5);;2*1H2/q;;;+2;;/p-2
InChIKeyVQXCXUUZUPAECT-UHFFFAOYSA-L
MW600.23 g/mol
LogP-6.90
Rot. Bonds3

About manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate

manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate (PubChem CID 11061040) has the molecular formula C20H18Cl2MnN4O10 and a molecular weight of 600.23 g/mol. Its IUPAC name is manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate.

Molecular Properties

Compound Namemanganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
PubChem CID11061040
Molecular FormulaC20H18Cl2MnN4O10
Molecular Weight600.23 g/mol
Exact Mass598.98
IUPAC Namemanganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
SMILESO.O.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(-c3cccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C20H14N4.2ClHO4.Mn.2H2O/c1-3-13-21-15(7-1)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22-16;2*2-1(3,4)5;;;/h1-14H;2*(H,2,3,4,5);;2*1H2/q;;;+2;;/p-2
InChIKeyVQXCXUUZUPAECT-UHFFFAOYSA-L
XLogP-6.90
TPSA299.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.23
LogP ≤ 5-6.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

palladium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 19810782
azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate
CID 139154451
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
perchloric acid;2-pyridin-2-ylpyridine
CID 71352928
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate
CID 139139277
2,6-dipyridin-2-ylpyridine;N-pyridin-2-ylpyridin-2-amine;ruthenium(2+);nitrite;perchlorate
CID 139130055
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179

Frequently Asked Questions

What is the IUPAC name of manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate?
The IUPAC name of manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate (CID 11061040) is manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate.
What is the SMILES notation for manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate?
The canonical SMILES for manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate is O.O.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(-c3cccc(-c4ccccn4)n3)n2)nc1.
What is the InChIKey of manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate?
The InChIKey is VQXCXUUZUPAECT-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H14N4.2ClHO4.Mn.2H2O/c1-3-13-21-15(7-1)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22-16;2*2-1(3,4)5;;;/h1-14H;2*(H,2,3,4,5);;2*1H2/q;;;+2;;/p-2.
What are the key properties of manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate?
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate has a molecular weight of 600.23 g/mol, XLogP of -6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate is sourced from PubChem (CID 11061040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).