bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol

C33H29Cl4Mn2N7O2 — CID 158402711

IUPACbis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol
SMILESCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.Cl[Mn]Cl.Cl[Mn]Cl.Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C18H18N4O.C15H11N3O.4ClH.2Mn/c1-22(10-11-23)14-12-17(15-6-2-4-8-19-15)21-18(13-14)16-7-3-5-9-20-16;19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;;;;;;/h2-9,12-13,23H,10-11H2,1H3;1-10H,(H,18,19);4*1H;;/q;;;;;;2*+2/p-4
InChIKeyGYHLGVKXRWAQLU-UHFFFAOYSA-J
MW807.33 g/mol
LogP8.30
Rot. Bonds7

About bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol

bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol (PubChem CID 158402711) has the molecular formula C33H29Cl4Mn2N7O2 and a molecular weight of 807.33 g/mol. Its IUPAC name is bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol.

Molecular Properties

Compound Namebis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol
PubChem CID158402711
Molecular FormulaC33H29Cl4Mn2N7O2
Molecular Weight807.33 g/mol
Exact Mass804.99
IUPAC Namebis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol
SMILESCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.Cl[Mn]Cl.Cl[Mn]Cl.Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C18H18N4O.C15H11N3O.4ClH.2Mn/c1-22(10-11-23)14-12-17(15-6-2-4-8-19-15)21-18(13-14)16-7-3-5-9-20-16;19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;;;;;;/h2-9,12-13,23H,10-11H2,1H3;1-10H,(H,18,19);4*1H;;/q;;;;;;2*+2/p-4
InChIKeyGYHLGVKXRWAQLU-UHFFFAOYSA-J
XLogP8.30
TPSA121.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.33
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol with MolForge

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Related Compounds

Cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate
CID 139145755
Cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate
CID 139197567
Bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese
CID 58781426
2,6-Bis[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]pyridin-4-ol;dichloromanganese
CID 136027241
Cobalt(2+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)
CID 140694713
Cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)
CID 140694715
Dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol
CID 143858479
2,6-Bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese
CID 143858480
Bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride
CID 160501171
Tris[(2,2'-bipyridyl)-4,4'-diol]ruthenium(II)dichloride
CID 177847012

Frequently Asked Questions

What is the IUPAC name of bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol?
The IUPAC name of bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol (CID 158402711) is bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol.
What is the SMILES notation for bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol?
The canonical SMILES for bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol is CN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.Cl[Mn]Cl.Cl[Mn]Cl.Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol?
The InChIKey is GYHLGVKXRWAQLU-UHFFFAOYSA-J. The full InChI is InChI=1S/C18H18N4O.C15H11N3O.4ClH.2Mn/c1-22(10-11-23)14-12-17(15-6-2-4-8-19-15)21-18(13-14)16-7-3-5-9-20-16;19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;;;;;;/h2-9,12-13,23H,10-11H2,1H3;1-10H,(H,18,19);4*1H;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol?
bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol has a molecular weight of 807.33 g/mol, XLogP of 8.30, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol is sourced from PubChem (CID 158402711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).