2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese

C21H25Cl2MnN5O3 — CID 143858480

IUPAC2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese
SMILESCN(CCO)c1ccnc(-c2cc(O)cc(-c3cc(N(C)CCO)ccn3)n2)c1.Cl[Mn]Cl
InChIInChI=1S/C21H25N5O3.2ClH.Mn/c1-25(7-9-27)15-3-5-22-18(11-15)20-13-17(29)14-21(24-20)19-12-16(4-6-23-19)26(2)8-10-28;;;/h3-6,11-14,27-28H,7-10H2,1-2H3,(H,24,29);2*1H;/q;;;+2/p-2
InChIKeyLAIVBIIEXNVVDC-UHFFFAOYSA-L
MW521.31 g/mol
LogP3.14
Rot. Bonds8

About 2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese

2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese (PubChem CID 143858480) has the molecular formula C21H25Cl2MnN5O3 and a molecular weight of 521.31 g/mol. Its IUPAC name is 2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese.

Molecular Properties

Compound Name2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese
PubChem CID143858480
Molecular FormulaC21H25Cl2MnN5O3
Molecular Weight521.31 g/mol
Exact Mass520.07
IUPAC Name2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese
SMILESCN(CCO)c1ccnc(-c2cc(O)cc(-c3cc(N(C)CCO)ccn3)n2)c1.Cl[Mn]Cl
InChIInChI=1S/C21H25N5O3.2ClH.Mn/c1-25(7-9-27)15-3-5-22-18(11-15)20-13-17(29)14-21(24-20)19-12-16(4-6-23-19)26(2)8-10-28;;;/h3-6,11-14,27-28H,7-10H2,1-2H3,(H,24,29);2*1H;/q;;;+2/p-2
InChIKeyLAIVBIIEXNVVDC-UHFFFAOYSA-L
XLogP3.14
TPSA105.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.31
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese?
The IUPAC name of 2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese (CID 143858480) is 2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese.
What is the SMILES notation for 2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese?
The canonical SMILES for 2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese is CN(CCO)c1ccnc(-c2cc(O)cc(-c3cc(N(C)CCO)ccn3)n2)c1.Cl[Mn]Cl.
What is the InChIKey of 2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese?
The InChIKey is LAIVBIIEXNVVDC-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H25N5O3.2ClH.Mn/c1-25(7-9-27)15-3-5-22-18(11-15)20-13-17(29)14-21(24-20)19-12-16(4-6-23-19)26(2)8-10-28;;;/h3-6,11-14,27-28H,7-10H2,1-2H3,(H,24,29);2*1H;/q;;;+2/p-2.
What are the key properties of 2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese?
2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese has a molecular weight of 521.31 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]pyridin-4-ol;dichloromanganese is sourced from PubChem (CID 143858480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).