2-carboxyquinolin-8-olate;methylmercury(1+)

C11H9HgNO3 — CID 70518723

IUPAC2-carboxyquinolin-8-olate;methylmercury(1+)
SMILESC[Hg+].O=C(O)c1ccc2cccc([O-])c2n1
InChIInChI=1S/C10H7NO3.CH3.Hg/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;;/h1-5,12H,(H,13,14);1H3;/q;;+1/p-1
InChIKeyHRYSTIUMWQGHNR-UHFFFAOYSA-M
MW403.79 g/mol
LogP1.59
Rot. Bonds1

About 2-carboxyquinolin-8-olate;methylmercury(1+)

2-carboxyquinolin-8-olate;methylmercury(1+) (PubChem CID 70518723) has the molecular formula C11H9HgNO3 and a molecular weight of 403.79 g/mol. Its IUPAC name is 2-carboxyquinolin-8-olate;methylmercury(1+).

Molecular Properties

Compound Name2-carboxyquinolin-8-olate;methylmercury(1+)
PubChem CID70518723
Molecular FormulaC11H9HgNO3
Molecular Weight403.79 g/mol
Exact Mass405.03
IUPAC Name2-carboxyquinolin-8-olate;methylmercury(1+)
SMILESC[Hg+].O=C(O)c1ccc2cccc([O-])c2n1
InChIInChI=1S/C10H7NO3.CH3.Hg/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;;/h1-5,12H,(H,13,14);1H3;/q;;+1/p-1
InChIKeyHRYSTIUMWQGHNR-UHFFFAOYSA-M
XLogP1.59
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.79
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carboxyquinolin-8-olate;methylmercury(1+)?
The IUPAC name of 2-carboxyquinolin-8-olate;methylmercury(1+) (CID 70518723) is 2-carboxyquinolin-8-olate;methylmercury(1+).
What is the SMILES notation for 2-carboxyquinolin-8-olate;methylmercury(1+)?
The canonical SMILES for 2-carboxyquinolin-8-olate;methylmercury(1+) is C[Hg+].O=C(O)c1ccc2cccc([O-])c2n1.
What is the InChIKey of 2-carboxyquinolin-8-olate;methylmercury(1+)?
The InChIKey is HRYSTIUMWQGHNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO3.CH3.Hg/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;;/h1-5,12H,(H,13,14);1H3;/q;;+1/p-1.
What are the key properties of 2-carboxyquinolin-8-olate;methylmercury(1+)?
2-carboxyquinolin-8-olate;methylmercury(1+) has a molecular weight of 403.79 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyquinolin-8-olate;methylmercury(1+) is sourced from PubChem (CID 70518723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).