bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate

C30H26MnN8O8 — CID 139067232

IUPACbis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate
SMILESO.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mn+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.Mn.2NO3.2H2O/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;2*2-1(3)4;;/h2*1-11H;;;;2*1H2/q;;+2;2*-1;;
InChIKeyWQXFJKYPZGNVPM-UHFFFAOYSA-N
MW681.52 g/mol
LogP4.28
Rot. Bonds4

About bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate

bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate (PubChem CID 139067232) has the molecular formula C30H26MnN8O8 and a molecular weight of 681.52 g/mol. Its IUPAC name is bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate.

Molecular Properties

Compound Namebis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate
PubChem CID139067232
Molecular FormulaC30H26MnN8O8
Molecular Weight681.52 g/mol
Exact Mass681.13
IUPAC Namebis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate
SMILESO.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mn+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.Mn.2NO3.2H2O/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;2*2-1(3)4;;/h2*1-11H;;;;2*1H2/q;;+2;2*-1;;
InChIKeyWQXFJKYPZGNVPM-UHFFFAOYSA-N
XLogP4.28
TPSA272.74 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(2+));tetrakis(trifluoromethanesulfonate)
CID 139106828
[Mn2III,IV(O)2(terpy)2(CF3CO2)2](ClO4).CH3CN
CID 139132892
Bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate
CID 139149293
Cerium(3+);bis(2,6-dipyridin-2-ylpyridine);tris(trifluoromethanesulfonate)
CID 139153054
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(3+));tetrakis(trifluoromethanesulfonate);peroxide
CID 139157903
Acetonitrile;chromium(3+);2,6-dipyridin-2-ylpyridine;2,3,5,6-tetrapyridin-2-ylpyrazine;tris(trifluoromethanesulfonate)
CID 139171097

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate?
The IUPAC name of bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate (CID 139067232) is bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate.
What is the SMILES notation for bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate?
The canonical SMILES for bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate is O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mn+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate?
The InChIKey is WQXFJKYPZGNVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.Mn.2NO3.2H2O/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;2*2-1(3)4;;/h2*1-11H;;;;2*1H2/q;;+2;2*-1;;.
What are the key properties of bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate?
bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate has a molecular weight of 681.52 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dipyridin-2-ylpyridine);manganese(2+);dinitrate;dihydrate is sourced from PubChem (CID 139067232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).