bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead

C12H8N4O10Pb+2 — CID 137178721

IUPACbis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead
SMILESO=[N+]([O-])c1ccc(O)c([N+](=O)O[Pb]O[N+](=O)c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/2C6H4N2O5.Pb/c2*9-6-2-1-4(7(10)11)3-5(6)8(12)13;/h2*1-3,9H;/q;;+2
InChIKeyTVIQBXFQZRULRX-UHFFFAOYSA-N
MW575.41 g/mol
LogP1.83
Rot. Bonds8

About bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead

bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead (PubChem CID 137178721) has the molecular formula C12H8N4O10Pb+2 and a molecular weight of 575.41 g/mol. Its IUPAC name is bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead.

Molecular Properties

Compound Namebis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead
PubChem CID137178721
Molecular FormulaC12H8N4O10Pb+2
Molecular Weight575.41 g/mol
Exact Mass576.00
IUPAC Namebis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead
SMILESO=[N+]([O-])c1ccc(O)c([N+](=O)O[Pb]O[N+](=O)c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/2C6H4N2O5.Pb/c2*9-6-2-1-4(7(10)11)3-5(6)8(12)13;/h2*1-3,9H;/q;;+2
InChIKeyTVIQBXFQZRULRX-UHFFFAOYSA-N
XLogP1.83
TPSA185.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;2,4-dinitrophenol;hydrate
CID 174664401
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
2,4-dinitrophenol;4-methoxy-1-oxidopyridin-1-ium
CID 139064927
2,4-dinitrophenol;4-methyl-1-oxidopyridin-1-ium
CID 139124088
butanoic acid;2,4-dinitrophenol
CID 175085952
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
2,4-dinitrophenol;2H-tetrazole
CID 154637642
potassium 2-chloro-4-nitrophenol
CID 71150199
2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
CID 56975056
ethane;2-methoxy-4-nitrophenol
CID 91188946
2-methyl-4-nitrophenol;molecular nitrogen
CID 166479227

Frequently Asked Questions

What is the IUPAC name of bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead?
The IUPAC name of bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead (CID 137178721) is bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead.
What is the SMILES notation for bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead?
The canonical SMILES for bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead is O=[N+]([O-])c1ccc(O)c([N+](=O)O[Pb]O[N+](=O)c2cc([N+](=O)[O-])ccc2O)c1.
What is the InChIKey of bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead?
The InChIKey is TVIQBXFQZRULRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4N2O5.Pb/c2*9-6-2-1-4(7(10)11)3-5(6)8(12)13;/h2*1-3,9H;/q;;+2.
What are the key properties of bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead?
bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead has a molecular weight of 575.41 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead is sourced from PubChem (CID 137178721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).