2-ethenylpyridine;molecular iodine

C7H7I2N — CID 56841465

IUPAC2-ethenylpyridine;molecular iodine
SMILESC=Cc1ccccn1.II
InChIInChI=1S/C7H7N.I2/c1-2-7-5-3-4-6-8-7;1-2/h2-6H,1H2;
InChIKeyDIEJNGDZWYUKLR-UHFFFAOYSA-N
MW358.95 g/mol
LogP3.50
Rot. Bonds1

About 2-ethenylpyridine;molecular iodine

2-ethenylpyridine;molecular iodine (PubChem CID 56841465) has the molecular formula C7H7I2N and a molecular weight of 358.95 g/mol. Its IUPAC name is 2-ethenylpyridine;molecular iodine.

Molecular Properties

Compound Name2-ethenylpyridine;molecular iodine
PubChem CID56841465
Molecular FormulaC7H7I2N
Molecular Weight358.95 g/mol
Exact Mass358.87
IUPAC Name2-ethenylpyridine;molecular iodine
SMILESC=Cc1ccccn1.II
InChIInChI=1S/C7H7N.I2/c1-2-7-5-3-4-6-8-7;1-2/h2-6H,1H2;
InChIKeyDIEJNGDZWYUKLR-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.95
LogP ≤ 53.50
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;molecular iodine?
The IUPAC name of 2-ethenylpyridine;molecular iodine (CID 56841465) is 2-ethenylpyridine;molecular iodine.
What is the SMILES notation for 2-ethenylpyridine;molecular iodine?
The canonical SMILES for 2-ethenylpyridine;molecular iodine is C=Cc1ccccn1.II.
What is the InChIKey of 2-ethenylpyridine;molecular iodine?
The InChIKey is DIEJNGDZWYUKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.I2/c1-2-7-5-3-4-6-8-7;1-2/h2-6H,1H2;.
What are the key properties of 2-ethenylpyridine;molecular iodine?
2-ethenylpyridine;molecular iodine has a molecular weight of 358.95 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpyridine;molecular iodine is sourced from PubChem (CID 56841465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).