trinitromethylmercury(1+)

CHgN3O6+ — CID 4275595

IUPACtrinitromethylmercury(1+)
SMILESO=[N+]([O-])C([Hg+])([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/CN3O6.Hg/c5-2(6)1(3(7)8)4(9)10;/q;+1
InChIKeyCLBLYCYFFWGGIP-UHFFFAOYSA-N
MW350.62 g/mol
LogP-1.03
Rot. Bonds3

About trinitromethylmercury(1+)

trinitromethylmercury(1+) (PubChem CID 4275595) has the molecular formula CHgN3O6+ and a molecular weight of 350.62 g/mol. Its IUPAC name is trinitromethylmercury(1+).

Molecular Properties

Compound Nametrinitromethylmercury(1+)
PubChem CID4275595
Molecular FormulaCHgN3O6+
Molecular Weight350.62 g/mol
Exact Mass351.95
IUPAC Nametrinitromethylmercury(1+)
SMILESO=[N+]([O-])C([Hg+])([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/CN3O6.Hg/c5-2(6)1(3(7)8)4(9)10;/q;+1
InChIKeyCLBLYCYFFWGGIP-UHFFFAOYSA-N
XLogP-1.03
TPSA129.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.62
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetrakis(trinitromethyl)tricyclo[1.1.0.02,4]butane
CID 87483843
trinitromethyl nitrate
CID 54309113
sulfane;trichloro(nitro)methane
CID 158062482
2,2-dimethylpropane trinitrate
CID 18674756
technetium(7+) heptanitrate
CID 23031034
palladium(2+) nitrate
CID 15793330
niobium(3+) trinitrate
CID 14693735
ruthenium(3+) nitrate
CID 21124620
platinum pentanitrate
CID 173027999
tetrakis(lanthanum(3+));trinitrate
CID 19804472
aluminum trinitrate
CID 26053
europium(3+) trinitrate
CID 24983

Frequently Asked Questions

What is the IUPAC name of trinitromethylmercury(1+)?
The IUPAC name of trinitromethylmercury(1+) (CID 4275595) is trinitromethylmercury(1+).
What is the SMILES notation for trinitromethylmercury(1+)?
The canonical SMILES for trinitromethylmercury(1+) is O=[N+]([O-])C([Hg+])([N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of trinitromethylmercury(1+)?
The InChIKey is CLBLYCYFFWGGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/CN3O6.Hg/c5-2(6)1(3(7)8)4(9)10;/q;+1.
What are the key properties of trinitromethylmercury(1+)?
trinitromethylmercury(1+) has a molecular weight of 350.62 g/mol, XLogP of -1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trinitromethylmercury(1+) is sourced from PubChem (CID 4275595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).