bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine)

C34H26MnN4O6 — CID 139069373

IUPACbis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Mn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C7H6O3.Mn/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-8H;2*1-4,8H,(H,9,10);/q;;;;+2/p-2
InChIKeyGIYJDCURMYGJOG-UHFFFAOYSA-L
MW641.54 g/mol
LogP3.80
Rot. Bonds4

About bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine)

bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine) (PubChem CID 139069373) has the molecular formula C34H26MnN4O6 and a molecular weight of 641.54 g/mol. Its IUPAC name is bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namebis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine)
PubChem CID139069373
Molecular FormulaC34H26MnN4O6
Molecular Weight641.54 g/mol
Exact Mass641.12
IUPAC Namebis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Mn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C7H6O3.Mn/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-8H;2*1-4,8H,(H,9,10);/q;;;;+2/p-2
InChIKeyGIYJDCURMYGJOG-UHFFFAOYSA-L
XLogP3.80
TPSA172.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500641.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[6-[5-(4-Carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 169055341
(2,2'-Bipyridyl-kappa^2^N,N')bis(salicylato-kappa^2^O,O')zinc(II)
CID 139059392
Dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)
CID 139066999
Bis(2,2'-bipyridine)(3-carboxy-4-hydroxybenzenesulfonato)copper(II) 3-carboxy-4-hydroxybenzenesulfonate
CID 139067408
Bis(4-hydroxybenzoato-kappa^2^O,O')(1,10-phenanthroline-kappa^2^N,N')copper(II)
CID 139067421
Tetra-mu-benzoato-bis[benzoato(2,2-bipyridyl)terbium(III)]
CID 139070079
Bis(mu-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)copper(II)] tetrahydrate
CID 139072456
Bis(mu-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)copper(II)]
CID 139075243
Bis(mu-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)cobalt(II)]
CID 139075624
Bis(mu-2'-carboxylatobiphenyl-2-carboxylic acid-kappa^2^O^2^:O^2'^)bis[(2,2'-bipyridine-kappa^2^N,N')(2'-carboxylatobiphenyl-2-carboxylic acid-kappaO^2'^)zinc(II)]
CID 139077931
Bis(2,2'-bipyridyl-kappa^2^N,N')bis(2-hydroxybenzoato)-kappaO^1^;kappa^2^O^1^,O^1'^-cadmium(II) methanol solvate
CID 139078259
Bis(di-2-pyridylmethanediol-kappa^3^N,O,N')nickel(II) dibenzoate
CID 139079602

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine)?
The IUPAC name of bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine) (CID 139069373) is bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine) is O=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Mn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine)?
The InChIKey is GIYJDCURMYGJOG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2C7H6O3.Mn/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-8H;2*1-4,8H,(H,9,10);/q;;;;+2/p-2.
What are the key properties of bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine)?
bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine) has a molecular weight of 641.54 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybenzoate);manganese(2+);bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139069373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).