5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one

C7H4IN3O2 — CID 136710786

IUPAC5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc(I)no2)c[nH]1
InChIInChI=1S/C7H4IN3O2/c8-7-10-6(13-11-7)4-1-2-5(12)9-3-4/h1-3H,(H,9,12)
InChIKeyDZRYCFSBYQBSAC-UHFFFAOYSA-N
MW289.03 g/mol
LogP1.03
Rot. Bonds1

About 5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one

5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one (PubChem CID 136710786) has the molecular formula C7H4IN3O2 and a molecular weight of 289.03 g/mol. Its IUPAC name is 5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
PubChem CID136710786
Molecular FormulaC7H4IN3O2
Molecular Weight289.03 g/mol
Exact Mass288.93
IUPAC Name5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc(I)no2)c[nH]1
InChIInChI=1S/C7H4IN3O2/c8-7-10-6(13-11-7)4-1-2-5(12)9-3-4/h1-3H,(H,9,12)
InChIKeyDZRYCFSBYQBSAC-UHFFFAOYSA-N
XLogP1.03
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.03
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136966696
5-[3-(2-aminobutan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710763
5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710759
5-[3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710780
3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
CID 136812652
5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 167759131
5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136816004
5-(1,3-benzodioxol-5-yl)-3-iodo-1,2,4-oxadiazole
CID 112572224
5-(7-bromo-5-hydroxy-1,3-benzoxazol-2-yl)-1H-pyridin-2-one
CID 137126355
3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 112572229
5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136816035
5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 136666197

Frequently Asked Questions

What is the IUPAC name of 5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one (CID 136710786) is 5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one is O=c1ccc(-c2nc(I)no2)c[nH]1.
What is the InChIKey of 5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
The InChIKey is DZRYCFSBYQBSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4IN3O2/c8-7-10-6(13-11-7)4-1-2-5(12)9-3-4/h1-3H,(H,9,12).
What are the key properties of 5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one?
5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one has a molecular weight of 289.03 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 136710786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).