2-(2-hydroxypropyl)-5-iodopyridazin-3-one

C7H9IN2O2 — CID 114553655

IUPAC2-(2-hydroxypropyl)-5-iodopyridazin-3-one
SMILESCC(O)Cn1ncc(I)cc1=O
InChIInChI=1S/C7H9IN2O2/c1-5(11)4-10-7(12)2-6(8)3-9-10/h2-3,5,11H,4H2,1H3
InChIKeyGFZPJYMDYMXIGG-UHFFFAOYSA-N
MW280.06 g/mol
LogP0.23
Rot. Bonds2

About 2-(2-hydroxypropyl)-5-iodopyridazin-3-one

2-(2-hydroxypropyl)-5-iodopyridazin-3-one (PubChem CID 114553655) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-5-iodopyridazin-3-one
PubChem CID114553655
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name2-(2-hydroxypropyl)-5-iodopyridazin-3-one
SMILESCC(O)Cn1ncc(I)cc1=O
InChIInChI=1S/C7H9IN2O2/c1-5(11)4-10-7(12)2-6(8)3-9-10/h2-3,5,11H,4H2,1H3
InChIKeyGFZPJYMDYMXIGG-UHFFFAOYSA-N
XLogP0.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 50.23
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

2-(3-Fluoro-2-hydroxypropyl)-5-methyl-2,3-dihydropyridazin-3-one
CID 165595267
2-(3-Fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165748136
2-(2-Hydroxybutyl)pyridazin-3-one
CID 62849611
2-(2-Hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 62849436
2-(3-Hydroxybutan-2-yl)pyridazin-3-one
CID 78917642
2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 103935360
2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 103935361
5-(dimethylamino)-2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 104920966
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
2-(2-Hydroxyethyl)-5-methylpyridazin-3-one
CID 106548841
2-(2-Hydroxypropyl)-5-methylpyridazin-3-one
CID 106548847
2-(3-Hydroxybutan-2-yl)-5-methylpyridazin-3-one
CID 106548854

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-5-iodopyridazin-3-one (CID 114553655) is 2-(2-hydroxypropyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-5-iodopyridazin-3-one is CC(O)Cn1ncc(I)cc1=O.
What is the InChIKey of 2-(2-hydroxypropyl)-5-iodopyridazin-3-one?
The InChIKey is GFZPJYMDYMXIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-5(11)4-10-7(12)2-6(8)3-9-10/h2-3,5,11H,4H2,1H3.
What are the key properties of 2-(2-hydroxypropyl)-5-iodopyridazin-3-one?
2-(2-hydroxypropyl)-5-iodopyridazin-3-one has a molecular weight of 280.06 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).