1-(4-iodophenyl)-2,3-dihydropyridin-6-one

C11H10INO — CID 86216746

IUPAC1-(4-iodophenyl)-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1c1ccc(I)cc1
InChIInChI=1S/C11H10INO/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h1,3-7H,2,8H2
InChIKeyWUIHATHGOKSGOW-UHFFFAOYSA-N
MW299.11 g/mol
LogP2.58
Rot. Bonds1

About 1-(4-iodophenyl)-2,3-dihydropyridin-6-one

1-(4-iodophenyl)-2,3-dihydropyridin-6-one (PubChem CID 86216746) has the molecular formula C11H10INO and a molecular weight of 299.11 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-(4-iodophenyl)-2,3-dihydropyridin-6-one
PubChem CID86216746
Molecular FormulaC11H10INO
Molecular Weight299.11 g/mol
Exact Mass298.98
IUPAC Name1-(4-iodophenyl)-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1c1ccc(I)cc1
InChIInChI=1S/C11H10INO/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h1,3-7H,2,8H2
InChIKeyWUIHATHGOKSGOW-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 52.58
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 1-(4-iodophenyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 1-(4-iodophenyl)-2,3-dihydropyridin-6-one (CID 86216746) is 1-(4-iodophenyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-(4-iodophenyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-(4-iodophenyl)-2,3-dihydropyridin-6-one is O=C1C=CCCN1c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2,3-dihydropyridin-6-one?
The InChIKey is WUIHATHGOKSGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h1,3-7H,2,8H2.
What are the key properties of 1-(4-iodophenyl)-2,3-dihydropyridin-6-one?
1-(4-iodophenyl)-2,3-dihydropyridin-6-one has a molecular weight of 299.11 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 86216746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).