pyridin-1-ium;chloride;iodide

C5H6ClIN- — CID 73169683

IUPACpyridin-1-ium;chloride;iodide
SMILES[Cl-].[I-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.ClH.HI/c1-2-4-6-5-3-1;;/h1-5H;2*1H/p-1
InChIKeyFVDZHFZOYWNXCO-UHFFFAOYSA-M
MW242.47 g/mol
LogP-5.49
Rot. Bonds

About pyridin-1-ium;chloride;iodide

pyridin-1-ium;chloride;iodide (PubChem CID 73169683) has the molecular formula C5H6ClIN- and a molecular weight of 242.47 g/mol. Its IUPAC name is pyridin-1-ium;chloride;iodide.

Molecular Properties

Compound Namepyridin-1-ium;chloride;iodide
PubChem CID73169683
Molecular FormulaC5H6ClIN-
Molecular Weight242.47 g/mol
Exact Mass241.92
IUPAC Namepyridin-1-ium;chloride;iodide
SMILES[Cl-].[I-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.ClH.HI/c1-2-4-6-5-3-1;;/h1-5H;2*1H/p-1
InChIKeyFVDZHFZOYWNXCO-UHFFFAOYSA-M
XLogP-5.49
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.47
LogP ≤ 5-5.49
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 pyridin-1-ium;chloride;iodide?
The IUPAC name of pyridin-1-ium;chloride;iodide (CID 73169683) is pyridin-1-ium;chloride;iodide.
What is the SMILES notation for pyridin-1-ium;chloride;iodide?
The canonical SMILES for pyridin-1-ium;chloride;iodide is [Cl-].[I-].c1cc[nH+]cc1.
What is the InChIKey of pyridin-1-ium;chloride;iodide?
The InChIKey is FVDZHFZOYWNXCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5N.ClH.HI/c1-2-4-6-5-3-1;;/h1-5H;2*1H/p-1.
What are the key properties of pyridin-1-ium;chloride;iodide?
pyridin-1-ium;chloride;iodide has a molecular weight of 242.47 g/mol, XLogP of -5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-1-ium;chloride;iodide is sourced from PubChem (CID 73169683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).