lead(2+);2-nitrobenzene-1,3-diol

C6H5NO4Pb+2 — CID 21125062

IUPAClead(2+);2-nitrobenzene-1,3-diol
SMILESO=[N+]([O-])c1c(O)cccc1O.[Pb+2]
InChIInChI=1S/C6H5NO4.Pb/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3,8-9H;/q;+2
InChIKeyXHJSXRAOLYVLSJ-UHFFFAOYSA-N
MW362.31 g/mol
LogP0.63
Rot. Bonds1

About lead(2+);2-nitrobenzene-1,3-diol

lead(2+);2-nitrobenzene-1,3-diol (PubChem CID 21125062) has the molecular formula C6H5NO4Pb+2 and a molecular weight of 362.31 g/mol. Its IUPAC name is lead(2+);2-nitrobenzene-1,3-diol.

Molecular Properties

Compound Namelead(2+);2-nitrobenzene-1,3-diol
PubChem CID21125062
Molecular FormulaC6H5NO4Pb+2
Molecular Weight362.31 g/mol
Exact Mass363.00
IUPAC Namelead(2+);2-nitrobenzene-1,3-diol
SMILESO=[N+]([O-])c1c(O)cccc1O.[Pb+2]
InChIInChI=1S/C6H5NO4.Pb/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3,8-9H;/q;+2
InChIKeyXHJSXRAOLYVLSJ-UHFFFAOYSA-N
XLogP0.63
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-nitrobenzene-1,3-diol;2-nitrobenzene-1,4-diol
CID 162059656
2,3-dinitrophenol;2,3,4-trinitrophenol
CID 88658203
2,3-dinitrophenol;1H-pyrrole
CID 141490929
2-(3-hydroxy-2-nitrophenyl)acetaldehyde
CID 169410100
1-(3-hydroxy-2-nitrophenyl)propan-1-one
CID 21450264
2,5-dinitrobenzene-1,3-diol
CID 89183388
3-(2-hydroxyethylamino)-2-nitrophenol
CID 18984055
3-(1,2-dinitro-2-phenylethenyl)-2-nitrophenol
CID 175293725
2,4-dinitrobenzene-1,3-diol;iron(2+)
CID 88924073
2-nitro-3-nitrosobenzene-1,4-diol
CID 150129256
2-nitro-3-pyridin-3-ylphenol
CID 20564355
2-nitrobenzene-1,3-dicarboxylate
CID 19386615

Frequently Asked Questions

What is the IUPAC name of lead(2+);2-nitrobenzene-1,3-diol?
The IUPAC name of lead(2+);2-nitrobenzene-1,3-diol (CID 21125062) is lead(2+);2-nitrobenzene-1,3-diol.
What is the SMILES notation for lead(2+);2-nitrobenzene-1,3-diol?
The canonical SMILES for lead(2+);2-nitrobenzene-1,3-diol is O=[N+]([O-])c1c(O)cccc1O.[Pb+2].
What is the InChIKey of lead(2+);2-nitrobenzene-1,3-diol?
The InChIKey is XHJSXRAOLYVLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4.Pb/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3,8-9H;/q;+2.
What are the key properties of lead(2+);2-nitrobenzene-1,3-diol?
lead(2+);2-nitrobenzene-1,3-diol has a molecular weight of 362.31 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lead(2+);2-nitrobenzene-1,3-diol is sourced from PubChem (CID 21125062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).