mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride

C6H7Cl2HgNO2 — CID 172885243

IUPACmercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride
SMILESCOc1cccc[n+]1[O-].[Cl-].[Cl-].[Hg+2]
InChIInChI=1S/C6H7NO2.2ClH.Hg/c1-9-6-4-2-3-5-7(6)8;;;/h2-5H,1H3;2*1H;/q;;;+2/p-2
InChIKeyVVWJGEHJJMSEOP-UHFFFAOYSA-L
MW396.62 g/mol
LogP-5.67
Rot. Bonds1

About mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride

mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride (PubChem CID 172885243) has the molecular formula C6H7Cl2HgNO2 and a molecular weight of 396.62 g/mol. Its IUPAC name is mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride.

Molecular Properties

Compound Namemercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride
PubChem CID172885243
Molecular FormulaC6H7Cl2HgNO2
Molecular Weight396.62 g/mol
Exact Mass396.96
IUPAC Namemercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride
SMILESCOc1cccc[n+]1[O-].[Cl-].[Cl-].[Hg+2]
InChIInChI=1S/C6H7NO2.2ClH.Hg/c1-9-6-4-2-3-5-7(6)8;;;/h2-5H,1H3;2*1H;/q;;;+2/p-2
InChIKeyVVWJGEHJJMSEOP-UHFFFAOYSA-L
XLogP-5.67
TPSA36.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 5-5.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

iron;2-methoxy-1-oxidopyridin-1-ium
CID 175100499
2-methoxy-1-phenylpyridin-1-ium chloride
CID 22670942
1-oxido-2-(2,4,6-trimethylphenoxy)pyridin-1-ium
CID 140976101
2-octoxy-1-oxidopyridin-1-ium
CID 139607434
2-methoxy-1-phenylpyridin-1-ium
CID 22670943
2-(1-oxidopyridin-1-ium-2-yl)oxyacetonitrile
CID 131101993
2-methoxy-1-propylpyridin-1-ium
CID 175412660
2-(2-bromoprop-2-enoxy)-1-oxidopyridin-1-ium
CID 130693924
1-(4-methoxyphenyl)-4-(1-oxidopyridin-1-ium-2-yl)oxyphthalazine
CID 99630271
ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium
CID 59467992
[dimethyl-(1-oxidopyridin-1-ium-2-yl)silyl]oxy-dimethyl-(1-oxidopyridin-1-ium-2-yl)silane
CID 14598000
2-methyl-1-oxidopyridin-1-ium;pyridine
CID 160954375

Frequently Asked Questions

What is the IUPAC name of mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride?
The IUPAC name of mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride (CID 172885243) is mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride.
What is the SMILES notation for mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride?
The canonical SMILES for mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride is COc1cccc[n+]1[O-].[Cl-].[Cl-].[Hg+2].
What is the InChIKey of mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride?
The InChIKey is VVWJGEHJJMSEOP-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7NO2.2ClH.Hg/c1-9-6-4-2-3-5-7(6)8;;;/h2-5H,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride?
mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride has a molecular weight of 396.62 g/mol, XLogP of -5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(2+);2-methoxy-1-oxidopyridin-1-ium;dichloride is sourced from PubChem (CID 172885243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).