(2-hydroxy-6-nitrophenyl)mercury;hydrate

C6H6HgNO4 — CID 21455177

IUPAC(2-hydroxy-6-nitrophenyl)mercury;hydrate
SMILESO.O=[N+]([O-])c1cccc(O)c1[Hg]
InChIInChI=1S/C6H4NO3.Hg.H2O/c8-6-3-1-2-5(4-6)7(9)10;;/h1-3,8H;;1H2
InChIKeyBHYXLGDUHRDSME-UHFFFAOYSA-N
MW356.71 g/mol
LogP-0.35
Rot. Bonds1

About (2-hydroxy-6-nitrophenyl)mercury;hydrate

(2-hydroxy-6-nitrophenyl)mercury;hydrate (PubChem CID 21455177) has the molecular formula C6H6HgNO4 and a molecular weight of 356.71 g/mol. Its IUPAC name is (2-hydroxy-6-nitrophenyl)mercury;hydrate.

Molecular Properties

Compound Name(2-hydroxy-6-nitrophenyl)mercury;hydrate
PubChem CID21455177
Molecular FormulaC6H6HgNO4
Molecular Weight356.71 g/mol
Exact Mass358.00
IUPAC Name(2-hydroxy-6-nitrophenyl)mercury;hydrate
SMILESO.O=[N+]([O-])c1cccc(O)c1[Hg]
InChIInChI=1S/C6H4NO3.Hg.H2O/c8-6-3-1-2-5(4-6)7(9)10;;/h1-3,8H;;1H2
InChIKeyBHYXLGDUHRDSME-UHFFFAOYSA-N
XLogP-0.35
TPSA94.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.71
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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

disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
potassium 2-methoxy-3-nitrophenol
CID 67083613
2-ethenyl-3-nitrophenol
CID 10583166
2-ethyl-3-nitrophenol
CID 59302303
2,3-dinitrophenol;2,3,4-trinitrophenol
CID 88658203
1-(2-hydroxy-6-nitrophenyl)pyridin-4-one
CID 175188205
2,3-dinitrophenol;1H-pyrrole
CID 141490929
5-nitronaphthalene-1,2-diol
CID 139880098
formamide;2-nitrophenol
CID 20538790
(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone
CID 141362308
sodium;hydride;3-nitro-2-phenylphenol
CID 175105710

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-6-nitrophenyl)mercury;hydrate?
The IUPAC name of (2-hydroxy-6-nitrophenyl)mercury;hydrate (CID 21455177) is (2-hydroxy-6-nitrophenyl)mercury;hydrate.
What is the SMILES notation for (2-hydroxy-6-nitrophenyl)mercury;hydrate?
The canonical SMILES for (2-hydroxy-6-nitrophenyl)mercury;hydrate is O.O=[N+]([O-])c1cccc(O)c1[Hg].
What is the InChIKey of (2-hydroxy-6-nitrophenyl)mercury;hydrate?
The InChIKey is BHYXLGDUHRDSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4NO3.Hg.H2O/c8-6-3-1-2-5(4-6)7(9)10;;/h1-3,8H;;1H2.
What are the key properties of (2-hydroxy-6-nitrophenyl)mercury;hydrate?
(2-hydroxy-6-nitrophenyl)mercury;hydrate has a molecular weight of 356.71 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-6-nitrophenyl)mercury;hydrate is sourced from PubChem (CID 21455177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).