bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide

C10H14HgI8N4 — CID 19048490

IUPACbis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide
SMILESI.I.I.I.Nc1ccc(I)cn1.Nc1ccc(I)cn1.[Hg+2].[I-].[I-]
InChIInChI=1S/2C5H5IN2.Hg.6HI/c2*6-4-1-2-5(7)8-3-4;;;;;;;/h2*1-3H,(H2,7,8);;6*1H/q;;+2;;;;;;/p-2
InChIKeyCSJHGVANBAFSCL-UHFFFAOYSA-L
MW1406.07 g/mol
LogP-0.99
Rot. Bonds

About bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide

bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide (PubChem CID 19048490) has the molecular formula C10H14HgI8N4 and a molecular weight of 1406.07 g/mol. Its IUPAC name is bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide.

Molecular Properties

Compound Namebis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide
PubChem CID19048490
Molecular FormulaC10H14HgI8N4
Molecular Weight1406.07 g/mol
Exact Mass1407.33
IUPAC Namebis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide
SMILESI.I.I.I.Nc1ccc(I)cn1.Nc1ccc(I)cn1.[Hg+2].[I-].[I-]
InChIInChI=1S/2C5H5IN2.Hg.6HI/c2*6-4-1-2-5(7)8-3-4;;;;;;;/h2*1-3H,(H2,7,8);;6*1H/q;;+2;;;;;;/p-2
InChIKeyCSJHGVANBAFSCL-UHFFFAOYSA-L
XLogP-0.99
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001406.07
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide?
The IUPAC name of bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide (CID 19048490) is bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide.
What is the SMILES notation for bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide?
The canonical SMILES for bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide is I.I.I.I.Nc1ccc(I)cn1.Nc1ccc(I)cn1.[Hg+2].[I-].[I-].
What is the InChIKey of bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide?
The InChIKey is CSJHGVANBAFSCL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H5IN2.Hg.6HI/c2*6-4-1-2-5(7)8-3-4;;;;;;;/h2*1-3H,(H2,7,8);;6*1H/q;;+2;;;;;;/p-2.
What are the key properties of bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide?
bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide has a molecular weight of 1406.07 g/mol, XLogP of -0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide is sourced from PubChem (CID 19048490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).