lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate

C19H15N3O6Pb — CID 139083398

IUPAClead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate
SMILESO.O=C([O-])c1ccccc1.O=[N+]([O-])[O-].[Pb+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C7H6O2.NO3.H2O.Pb/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-7(9)6-4-2-1-3-5-6;2-1(3)4;;/h1-8H;1-5H,(H,8,9);;1H2;/q;;-1;;+2/p-1
InChIKeyOPIUGDVFGOSNEX-UHFFFAOYSA-M
MW588.54 g/mol
LogP1.39
Rot. Bonds1

About lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate

lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate (PubChem CID 139083398) has the molecular formula C19H15N3O6Pb and a molecular weight of 588.54 g/mol. Its IUPAC name is lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate.

Molecular Properties

Compound Namelead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate
PubChem CID139083398
Molecular FormulaC19H15N3O6Pb
Molecular Weight588.54 g/mol
Exact Mass589.07
IUPAC Namelead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate
SMILESO.O=C([O-])c1ccccc1.O=[N+]([O-])[O-].[Pb+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C7H6O2.NO3.H2O.Pb/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-7(9)6-4-2-1-3-5-6;2-1(3)4;;/h1-8H;1-5H,(H,8,9);;1H2;/q;;-1;;+2/p-1
InChIKeyOPIUGDVFGOSNEX-UHFFFAOYSA-M
XLogP1.39
TPSA163.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.54
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

lead(2+);1,10-phenanthroline;acetate;benzoate;hydrate
CID 139077114
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
(E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate
CID 139207244
bis(2,6-dihydroxybenzoate);dysprosium(3+);bis(1,10-phenanthroline);nitrate
CID 139080132
dicopper;(2S)-2-hydroxybutanedioate;tris(1,10-phenanthroline);dinitrate;tetrahydrate
CID 139059307
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
nickel(2+);tris(1,10-phenanthroline);bis(2,4,5-tricarboxybenzoate);hydrate
CID 139082419
europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline
CID 131675766
1,10-phenanthroline-2-carboxylate;terbium(3+)
CID 161309891
bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
CID 175903843
lithium 1,10-phenanthroline-2-carboxylate
CID 158215060

Frequently Asked Questions

What is the IUPAC name of lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate?
The IUPAC name of lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate (CID 139083398) is lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate.
What is the SMILES notation for lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate?
The canonical SMILES for lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate is O.O=C([O-])c1ccccc1.O=[N+]([O-])[O-].[Pb+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate?
The InChIKey is OPIUGDVFGOSNEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8N2.C7H6O2.NO3.H2O.Pb/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-7(9)6-4-2-1-3-5-6;2-1(3)4;;/h1-8H;1-5H,(H,8,9);;1H2;/q;;-1;;+2/p-1.
What are the key properties of lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate?
lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate has a molecular weight of 588.54 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate is sourced from PubChem (CID 139083398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).