bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride

C38H40Cl2MnN8O4-2 — CID 160501171

IUPACbis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride
SMILESOCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.OCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Cl-].[Cl-].[Mn]
InChIInChI=1S/2C19H20N4O2.2ClH.Mn/c2*24-11-9-23(10-12-25)15-13-18(16-5-1-3-7-20-16)22-19(14-15)17-6-2-4-8-21-17;;;/h2*1-8,13-14,24-25H,9-12H2;2*1H;/p-2
InChIKeyQRUMUGMMZVHIDK-UHFFFAOYSA-L
MW798.63 g/mol
LogP-2.00
Rot. Bonds14

About bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride

bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride (PubChem CID 160501171) has the molecular formula C38H40Cl2MnN8O4-2 and a molecular weight of 798.63 g/mol. Its IUPAC name is bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride.

Molecular Properties

Compound Namebis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride
PubChem CID160501171
Molecular FormulaC38H40Cl2MnN8O4-2
Molecular Weight798.63 g/mol
Exact Mass797.19
IUPAC Namebis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride
SMILESOCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.OCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Cl-].[Cl-].[Mn]
InChIInChI=1S/2C19H20N4O2.2ClH.Mn/c2*24-11-9-23(10-12-25)15-13-18(16-5-1-3-7-20-16)22-19(14-15)17-6-2-4-8-21-17;;;/h2*1-8,13-14,24-25H,9-12H2;2*1H;/p-2
InChIKeyQRUMUGMMZVHIDK-UHFFFAOYSA-L
XLogP-2.00
TPSA164.74 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.63
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

4-(2,6-dipyridin-2-yl-4-pyridinyl)butan-1-ol
CID 15857587
2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol
CID 58781431
N-(2,6-dipyridin-2-yl-4-pyridinyl)-N-phenyl-2,6-dipyridin-2-ylpyridin-4-amine
CID 102395137
[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol
CID 71437815
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
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
4-chloro-2,6-dipyridin-2-ylpyridine;platinum
CID 87267165
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol
CID 61234744
3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 111464683
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride?
The IUPAC name of bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride (CID 160501171) is bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride.
What is the SMILES notation for bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride?
The canonical SMILES for bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride is OCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.OCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Cl-].[Cl-].[Mn].
What is the InChIKey of bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride?
The InChIKey is QRUMUGMMZVHIDK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H20N4O2.2ClH.Mn/c2*24-11-9-23(10-12-25)15-13-18(16-5-1-3-7-20-16)22-19(14-15)17-6-2-4-8-21-17;;;/h2*1-8,13-14,24-25H,9-12H2;2*1H;/p-2.
What are the key properties of bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride?
bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride has a molecular weight of 798.63 g/mol, XLogP of -2.00, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(2,6-dipyridin-2-yl-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol);manganese;dichloride is sourced from PubChem (CID 160501171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).