5-iodo-3-methylidenepyridin-2-one

C6H4INO — CID 78291384

IUPAC5-iodo-3-methylidenepyridin-2-one
SMILESC=C1C=C(I)C=NC1=O
InChIInChI=1S/C6H4INO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H2
InChIKeyWQNXEJDZVJOZSO-UHFFFAOYSA-N
MW233.01 g/mol
LogP1.47
Rot. Bonds

About 5-iodo-3-methylidenepyridin-2-one

5-iodo-3-methylidenepyridin-2-one (PubChem CID 78291384) has the molecular formula C6H4INO and a molecular weight of 233.01 g/mol. Its IUPAC name is 5-iodo-3-methylidenepyridin-2-one.

Molecular Properties

Compound Name5-iodo-3-methylidenepyridin-2-one
PubChem CID78291384
Molecular FormulaC6H4INO
Molecular Weight233.01 g/mol
Exact Mass232.93
IUPAC Name5-iodo-3-methylidenepyridin-2-one
SMILESC=C1C=C(I)C=NC1=O
InChIInChI=1S/C6H4INO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H2
InChIKeyWQNXEJDZVJOZSO-UHFFFAOYSA-N
XLogP1.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.01
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methylidenepyridin-2-one?
The IUPAC name of 5-iodo-3-methylidenepyridin-2-one (CID 78291384) is 5-iodo-3-methylidenepyridin-2-one.
What is the SMILES notation for 5-iodo-3-methylidenepyridin-2-one?
The canonical SMILES for 5-iodo-3-methylidenepyridin-2-one is C=C1C=C(I)C=NC1=O.
What is the InChIKey of 5-iodo-3-methylidenepyridin-2-one?
The InChIKey is WQNXEJDZVJOZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4INO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H2.
What are the key properties of 5-iodo-3-methylidenepyridin-2-one?
5-iodo-3-methylidenepyridin-2-one has a molecular weight of 233.01 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methylidenepyridin-2-one is sourced from PubChem (CID 78291384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).