1-(3-iodo-2-pyridinyl)ethanone

C7H6INO — CID 69164908

IUPAC1-(3-iodo-2-pyridinyl)ethanone
SMILESCC(=O)c1ncccc1I
InChIInChI=1S/C7H6INO/c1-5(10)7-6(8)3-2-4-9-7/h2-4H,1H3
InChIKeyFLUABVGRUPXXLB-UHFFFAOYSA-N
MW247.03 g/mol
LogP1.89
Rot. Bonds1

About 1-(3-iodo-2-pyridinyl)ethanone

1-(3-iodo-2-pyridinyl)ethanone (PubChem CID 69164908) has the molecular formula C7H6INO and a molecular weight of 247.03 g/mol. Its IUPAC name is 1-(3-iodo-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-iodo-2-pyridinyl)ethanone
PubChem CID69164908
Molecular FormulaC7H6INO
Molecular Weight247.03 g/mol
Exact Mass246.95
IUPAC Name1-(3-iodo-2-pyridinyl)ethanone
SMILESCC(=O)c1ncccc1I
InChIInChI=1S/C7H6INO/c1-5(10)7-6(8)3-2-4-9-7/h2-4H,1H3
InChIKeyFLUABVGRUPXXLB-UHFFFAOYSA-N
XLogP1.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.03
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-iodo-2-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-iodo-2-pyridinyl)ethanone (CID 69164908) is 1-(3-iodo-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-iodo-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-iodo-2-pyridinyl)ethanone is CC(=O)c1ncccc1I.
What is the InChIKey of 1-(3-iodo-2-pyridinyl)ethanone?
The InChIKey is FLUABVGRUPXXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO/c1-5(10)7-6(8)3-2-4-9-7/h2-4H,1H3.
What are the key properties of 1-(3-iodo-2-pyridinyl)ethanone?
1-(3-iodo-2-pyridinyl)ethanone has a molecular weight of 247.03 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-2-pyridinyl)ethanone is sourced from PubChem (CID 69164908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).