dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol

C21H24Cl2MnN5O+ — CID 143858479

IUPACdichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol
SMILESC[N+]1(C)CCN(c2ccnc(-c3cc(O)cc(-c4ccccn4)n3)c2)CC1.Cl[Mn]Cl
InChIInChI=1S/C21H23N5O.2ClH.Mn/c1-26(2)11-9-25(10-12-26)16-6-8-23-19(13-16)21-15-17(27)14-20(24-21)18-5-3-4-7-22-18;;;/h3-8,13-15H,9-12H2,1-2H3;2*1H;/q;;;+2/p-1
InChIKeyLXIXXRLYFKKUPT-UHFFFAOYSA-M
MW488.30 g/mol
LogP4.18
Rot. Bonds3

About dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol

dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol (PubChem CID 143858479) has the molecular formula C21H24Cl2MnN5O+ and a molecular weight of 488.30 g/mol. Its IUPAC name is dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol.

Molecular Properties

Compound Namedichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol
PubChem CID143858479
Molecular FormulaC21H24Cl2MnN5O+
Molecular Weight488.30 g/mol
Exact Mass487.07
IUPAC Namedichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol
SMILESC[N+]1(C)CCN(c2ccnc(-c3cc(O)cc(-c4ccccn4)n3)c2)CC1.Cl[Mn]Cl
InChIInChI=1S/C21H23N5O.2ClH.Mn/c1-26(2)11-9-25(10-12-26)16-6-8-23-19(13-16)21-15-17(27)14-20(24-21)18-5-3-4-7-22-18;;;/h3-8,13-15H,9-12H2,1-2H3;2*1H;/q;;;+2/p-1
InChIKeyLXIXXRLYFKKUPT-UHFFFAOYSA-M
XLogP4.18
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol?
The IUPAC name of dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol (CID 143858479) is dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol.
What is the SMILES notation for dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol?
The canonical SMILES for dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol is C[N+]1(C)CCN(c2ccnc(-c3cc(O)cc(-c4ccccn4)n3)c2)CC1.Cl[Mn]Cl.
What is the InChIKey of dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol?
The InChIKey is LXIXXRLYFKKUPT-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H23N5O.2ClH.Mn/c1-26(2)11-9-25(10-12-26)16-6-8-23-19(13-16)21-15-17(27)14-20(24-21)18-5-3-4-7-22-18;;;/h3-8,13-15H,9-12H2,1-2H3;2*1H;/q;;;+2/p-1.
What are the key properties of dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol?
dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol has a molecular weight of 488.30 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromanganese;2-[4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-pyridinyl]-6-pyridin-2-ylpyridin-4-ol is sourced from PubChem (CID 143858479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).