3-ethenyl-5-iodopyridine

C7H6IN — CID 133063601

IUPAC3-ethenyl-5-iodopyridine
SMILESC=Cc1cncc(I)c1
InChIInChI=1S/C7H6IN/c1-2-6-3-7(8)5-9-4-6/h2-5H,1H2
InChIKeyFPJYXQBALBUZPT-UHFFFAOYSA-N
MW231.04 g/mol
LogP2.33
Rot. Bonds1

About 3-ethenyl-5-iodopyridine

3-ethenyl-5-iodopyridine (PubChem CID 133063601) has the molecular formula C7H6IN and a molecular weight of 231.04 g/mol. Its IUPAC name is 3-ethenyl-5-iodopyridine.

Molecular Properties

Compound Name3-ethenyl-5-iodopyridine
PubChem CID133063601
Molecular FormulaC7H6IN
Molecular Weight231.04 g/mol
Exact Mass230.95
IUPAC Name3-ethenyl-5-iodopyridine
SMILESC=Cc1cncc(I)c1
InChIInChI=1S/C7H6IN/c1-2-6-3-7(8)5-9-4-6/h2-5H,1H2
InChIKeyFPJYXQBALBUZPT-UHFFFAOYSA-N
XLogP2.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 52.33
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 3-ethenyl-5-iodopyridine?
The IUPAC name of 3-ethenyl-5-iodopyridine (CID 133063601) is 3-ethenyl-5-iodopyridine.
What is the SMILES notation for 3-ethenyl-5-iodopyridine?
The canonical SMILES for 3-ethenyl-5-iodopyridine is C=Cc1cncc(I)c1.
What is the InChIKey of 3-ethenyl-5-iodopyridine?
The InChIKey is FPJYXQBALBUZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN/c1-2-6-3-7(8)5-9-4-6/h2-5H,1H2.
What are the key properties of 3-ethenyl-5-iodopyridine?
3-ethenyl-5-iodopyridine has a molecular weight of 231.04 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-iodopyridine is sourced from PubChem (CID 133063601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).