mercury(2+);bis(naphthalene-2-carboxylate)

C22H14HgO4 — CID 22604304

IUPACmercury(2+);bis(naphthalene-2-carboxylate)
SMILESO=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[Hg+2]
InChIInChI=1S/2C11H8O2.Hg/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
InChIKeyFXIJVMRWVJZARO-UHFFFAOYSA-L
MW542.94 g/mol
LogP2.40
Rot. Bonds2

About mercury(2+);bis(naphthalene-2-carboxylate)

mercury(2+);bis(naphthalene-2-carboxylate) (PubChem CID 22604304) has the molecular formula C22H14HgO4 and a molecular weight of 542.94 g/mol. Its IUPAC name is mercury(2+);bis(naphthalene-2-carboxylate).

Molecular Properties

Compound Namemercury(2+);bis(naphthalene-2-carboxylate)
PubChem CID22604304
Molecular FormulaC22H14HgO4
Molecular Weight542.94 g/mol
Exact Mass544.06
IUPAC Namemercury(2+);bis(naphthalene-2-carboxylate)
SMILESO=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[Hg+2]
InChIInChI=1S/2C11H8O2.Hg/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
InChIKeyFXIJVMRWVJZARO-UHFFFAOYSA-L
XLogP2.40
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.94
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium naphthalene-2-carboxylate
CID 23664129
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
anthracene-2-carboxylate
CID 11160355
tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))
CID 175019109
magnesium naphthalene-2,6-dicarboxylate
CID 67200509
anthracene-2,6-dicarboxylate
CID 86309851
di(propan-2-yl)azanium;naphthalene-2-carboxylate
CID 21407073
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
naphthalene-2-carboxylic acid
CID 175967775
bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)
CID 172907782

Frequently Asked Questions

What is the IUPAC name of mercury(2+);bis(naphthalene-2-carboxylate)?
The IUPAC name of mercury(2+);bis(naphthalene-2-carboxylate) (CID 22604304) is mercury(2+);bis(naphthalene-2-carboxylate).
What is the SMILES notation for mercury(2+);bis(naphthalene-2-carboxylate)?
The canonical SMILES for mercury(2+);bis(naphthalene-2-carboxylate) is O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[Hg+2].
What is the InChIKey of mercury(2+);bis(naphthalene-2-carboxylate)?
The InChIKey is FXIJVMRWVJZARO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H8O2.Hg/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2.
What are the key properties of mercury(2+);bis(naphthalene-2-carboxylate)?
mercury(2+);bis(naphthalene-2-carboxylate) has a molecular weight of 542.94 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(2+);bis(naphthalene-2-carboxylate) is sourced from PubChem (CID 22604304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).