4-pyridin-1-ium-4-ylpyridin-1-ium dichloride

C10H10Cl2N2 — CID 14208676

IUPAC4-pyridin-1-ium-4-ylpyridin-1-ium dichloride
SMILES[Cl-].[Cl-].c1cc(-c2cc[nH+]cc2)cc[nH+]1
InChIInChI=1S/C10H8N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h1-8H;2*1H
InChIKeyUAGAQPUIDMGOLD-UHFFFAOYSA-N
MW229.11 g/mol
LogP-5.01
Rot. Bonds1

About 4-pyridin-1-ium-4-ylpyridin-1-ium dichloride

4-pyridin-1-ium-4-ylpyridin-1-ium dichloride (PubChem CID 14208676) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 4-pyridin-1-ium-4-ylpyridin-1-ium dichloride.

Molecular Properties

Compound Name4-pyridin-1-ium-4-ylpyridin-1-ium dichloride
PubChem CID14208676
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name4-pyridin-1-ium-4-ylpyridin-1-ium dichloride
SMILES[Cl-].[Cl-].c1cc(-c2cc[nH+]cc2)cc[nH+]1
InChIInChI=1S/C10H8N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h1-8H;2*1H
InChIKeyUAGAQPUIDMGOLD-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 ≤ 500229.11
LogP ≤ 5-5.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-pyridin-1-ium-4-ylpyridin-1-ium dichloride 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 4-pyridin-1-ium-4-ylpyridin-1-ium dichloride?
The IUPAC name of 4-pyridin-1-ium-4-ylpyridin-1-ium dichloride (CID 14208676) is 4-pyridin-1-ium-4-ylpyridin-1-ium dichloride.
What is the SMILES notation for 4-pyridin-1-ium-4-ylpyridin-1-ium dichloride?
The canonical SMILES for 4-pyridin-1-ium-4-ylpyridin-1-ium dichloride is [Cl-].[Cl-].c1cc(-c2cc[nH+]cc2)cc[nH+]1.
What is the InChIKey of 4-pyridin-1-ium-4-ylpyridin-1-ium dichloride?
The InChIKey is UAGAQPUIDMGOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2ClH/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 dichloride?
4-pyridin-1-ium-4-ylpyridin-1-ium dichloride has a molecular weight of 229.11 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 dichloride is sourced from PubChem (CID 14208676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).