2-ethenylpyridine;hexahydroiodide

C7H13I6N — CID 70487032

IUPAC2-ethenylpyridine;hexahydroiodide
SMILESC=Cc1ccccn1.I.I.I.I.I.I
InChIInChI=1S/C7H7N.6HI/c1-2-7-5-3-4-6-8-7;;;;;;/h2-6H,1H2;6*1H
InChIKeyYVJFZYYQCNAHSZ-UHFFFAOYSA-N
MW872.61 g/mol
LogP5.43
Rot. Bonds1

About 2-ethenylpyridine;hexahydroiodide

2-ethenylpyridine;hexahydroiodide (PubChem CID 70487032) has the molecular formula C7H13I6N and a molecular weight of 872.61 g/mol. Its IUPAC name is 2-ethenylpyridine;hexahydroiodide.

Molecular Properties

Compound Name2-ethenylpyridine;hexahydroiodide
PubChem CID70487032
Molecular FormulaC7H13I6N
Molecular Weight872.61 g/mol
Exact Mass872.53
IUPAC Name2-ethenylpyridine;hexahydroiodide
SMILESC=Cc1ccccn1.I.I.I.I.I.I
InChIInChI=1S/C7H7N.6HI/c1-2-7-5-3-4-6-8-7;;;;;;/h2-6H,1H2;6*1H
InChIKeyYVJFZYYQCNAHSZ-UHFFFAOYSA-N
XLogP5.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.61
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylpyridine;hexahydroiodide?
The IUPAC name of 2-ethenylpyridine;hexahydroiodide (CID 70487032) is 2-ethenylpyridine;hexahydroiodide.
What is the SMILES notation for 2-ethenylpyridine;hexahydroiodide?
The canonical SMILES for 2-ethenylpyridine;hexahydroiodide is C=Cc1ccccn1.I.I.I.I.I.I.
What is the InChIKey of 2-ethenylpyridine;hexahydroiodide?
The InChIKey is YVJFZYYQCNAHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.6HI/c1-2-7-5-3-4-6-8-7;;;;;;/h2-6H,1H2;6*1H.
What are the key properties of 2-ethenylpyridine;hexahydroiodide?
2-ethenylpyridine;hexahydroiodide has a molecular weight of 872.61 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpyridine;hexahydroiodide is sourced from PubChem (CID 70487032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).