bis(pyridine);trihydroiodide

C10H13I3N2 — CID 175714675

IUPACbis(pyridine);trihydroiodide
SMILESI.I.I.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.3HI/c2*1-2-4-6-5-3-1;;;/h2*1-5H;3*1H
InChIKeyJPMBWIZNHFRKMD-UHFFFAOYSA-N
MW541.94 g/mol
LogP4.02
Rot. Bonds

About bis(pyridine);trihydroiodide

bis(pyridine);trihydroiodide (PubChem CID 175714675) has the molecular formula C10H13I3N2 and a molecular weight of 541.94 g/mol. Its IUPAC name is bis(pyridine);trihydroiodide.

Molecular Properties

Compound Namebis(pyridine);trihydroiodide
PubChem CID175714675
Molecular FormulaC10H13I3N2
Molecular Weight541.94 g/mol
Exact Mass541.82
IUPAC Namebis(pyridine);trihydroiodide
SMILESI.I.I.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.3HI/c2*1-2-4-6-5-3-1;;;/h2*1-5H;3*1H
InChIKeyJPMBWIZNHFRKMD-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.94
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(pyridine);trihydroiodide?
The IUPAC name of bis(pyridine);trihydroiodide (CID 175714675) is bis(pyridine);trihydroiodide.
What is the SMILES notation for bis(pyridine);trihydroiodide?
The canonical SMILES for bis(pyridine);trihydroiodide is I.I.I.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(pyridine);trihydroiodide?
The InChIKey is JPMBWIZNHFRKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.3HI/c2*1-2-4-6-5-3-1;;;/h2*1-5H;3*1H.
What are the key properties of bis(pyridine);trihydroiodide?
bis(pyridine);trihydroiodide has a molecular weight of 541.94 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridine);trihydroiodide is sourced from PubChem (CID 175714675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).