4-pyridin-1-ium-4-ylpyridin-1-ium diiodide

C10H10I2N2 — CID 172787266

IUPAC4-pyridin-1-ium-4-ylpyridin-1-ium diiodide
SMILES[I-].[I-].c1cc(-c2cc[nH+]cc2)cc[nH+]1
InChIInChI=1S/C10H8N2.2HI/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h1-8H;2*1H
InChIKeyPBMWYIFZRYTWDP-UHFFFAOYSA-N
MW412.01 g/mol
LogP-5.01
Rot. Bonds1

About 4-pyridin-1-ium-4-ylpyridin-1-ium diiodide

4-pyridin-1-ium-4-ylpyridin-1-ium diiodide (PubChem CID 172787266) has the molecular formula C10H10I2N2 and a molecular weight of 412.01 g/mol. Its IUPAC name is 4-pyridin-1-ium-4-ylpyridin-1-ium diiodide.

Molecular Properties

Compound Name4-pyridin-1-ium-4-ylpyridin-1-ium diiodide
PubChem CID172787266
Molecular FormulaC10H10I2N2
Molecular Weight412.01 g/mol
Exact Mass411.89
IUPAC Name4-pyridin-1-ium-4-ylpyridin-1-ium diiodide
SMILES[I-].[I-].c1cc(-c2cc[nH+]cc2)cc[nH+]1
InChIInChI=1S/C10H8N2.2HI/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h1-8H;2*1H
InChIKeyPBMWYIFZRYTWDP-UHFFFAOYSA-N
XLogP-5.01
TPSA28.28 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.01
LogP ≤ 5-5.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-1-ium-4-ylpyridin-1-ium diiodide?
The IUPAC name of 4-pyridin-1-ium-4-ylpyridin-1-ium diiodide (CID 172787266) is 4-pyridin-1-ium-4-ylpyridin-1-ium diiodide.
What is the SMILES notation for 4-pyridin-1-ium-4-ylpyridin-1-ium diiodide?
The canonical SMILES for 4-pyridin-1-ium-4-ylpyridin-1-ium diiodide is [I-].[I-].c1cc(-c2cc[nH+]cc2)cc[nH+]1.
What is the InChIKey of 4-pyridin-1-ium-4-ylpyridin-1-ium diiodide?
The InChIKey is PBMWYIFZRYTWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2HI/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h1-8H;2*1H.
What are the key properties of 4-pyridin-1-ium-4-ylpyridin-1-ium diiodide?
4-pyridin-1-ium-4-ylpyridin-1-ium diiodide has a molecular weight of 412.01 g/mol, XLogP of -5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-1-ium-4-ylpyridin-1-ium diiodide is sourced from PubChem (CID 172787266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).