dipyridin-3-ylmercury

C10H8HgN2 — CID 30242

IUPACdipyridin-3-ylmercury
SMILESc1cncc([Hg]c2cccnc2)c1
InChIInChI=1S/2C5H4N.Hg/c2*1-2-4-6-5-3-1;/h2*1-2,4-5H;
InChIKeyXWKSLJPUQPZEGY-UHFFFAOYSA-N
MW356.78 g/mol
LogP0.51
Rot. Bonds2

About dipyridin-3-ylmercury

dipyridin-3-ylmercury (PubChem CID 30242) has the molecular formula C10H8HgN2 and a molecular weight of 356.78 g/mol. Its IUPAC name is dipyridin-3-ylmercury.

Molecular Properties

Compound Namedipyridin-3-ylmercury
PubChem CID30242
Molecular FormulaC10H8HgN2
Molecular Weight356.78 g/mol
Exact Mass358.04
IUPAC Namedipyridin-3-ylmercury
SMILESc1cncc([Hg]c2cccnc2)c1
InChIInChI=1S/2C5H4N.Hg/c2*1-2-4-6-5-3-1;/h2*1-2,4-5H;
InChIKeyXWKSLJPUQPZEGY-UHFFFAOYSA-N
XLogP0.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dipyridin-3-ylmercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipyridin-3-ylmercury?
The IUPAC name of dipyridin-3-ylmercury (CID 30242) is dipyridin-3-ylmercury.
What is the SMILES notation for dipyridin-3-ylmercury?
The canonical SMILES for dipyridin-3-ylmercury is c1cncc([Hg]c2cccnc2)c1.
What is the InChIKey of dipyridin-3-ylmercury?
The InChIKey is XWKSLJPUQPZEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N.Hg/c2*1-2-4-6-5-3-1;/h2*1-2,4-5H;.
What are the key properties of dipyridin-3-ylmercury?
dipyridin-3-ylmercury has a molecular weight of 356.78 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipyridin-3-ylmercury is sourced from PubChem (CID 30242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).