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

C7H9IN2O2 — CID 114553325

IUPAC2-(3-hydroxypropyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCCO
InChIInChI=1S/C7H9IN2O2/c8-6-4-7(12)10(9-5-6)2-1-3-11/h4-5,11H,1-3H2
InChIKeyFHXGTHNMZRVQAG-UHFFFAOYSA-N
MW280.06 g/mol
LogP0.23
Rot. Bonds3

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

2-(3-hydroxypropyl)-5-iodopyridazin-3-one (PubChem CID 114553325) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-5-iodopyridazin-3-one
PubChem CID114553325
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name2-(3-hydroxypropyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCCO
InChIInChI=1S/C7H9IN2O2/c8-6-4-7(12)10(9-5-6)2-1-3-11/h4-5,11H,1-3H2
InChIKeyFHXGTHNMZRVQAG-UHFFFAOYSA-N
XLogP0.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-Hydroxypropyl)pyridazin-3-one
CID 62849435
2-(Hydroxymethyl)-5-iodopyridazin-3(2H)-one
CID 67010519
2-(1-Hydroxypropyl)pyridazin-3-one
CID 174258046
2-(3-Hydroxypropyl)-5-methylpyridazin-3-one
CID 106548845
2-(3-Hydroxy-2-methylpropyl)-5-methylpyridazin-3-one
CID 106548850
2-(6-Hydroxyhexyl)-5-iodopyridazin-3-one
CID 107706035
2-(3-Ethoxypropyl)-5-iodopyridazin-3-one
CID 114553355
2-(2,3-Dihydroxypropyl)-5-iodopyridazin-3-one
CID 114553394
2-(2-Hydroxyethyl)-5-iodopyridazin-3-one
CID 114553415
2-(5-Hydroxypentyl)-5-iodopyridazin-3-one
CID 114553543
2-(3-Hydroxy-2-methylpropyl)-5-iodopyridazin-3-one
CID 114553579
2-(2-Hydroxypropyl)-5-iodopyridazin-3-one
CID 114553655

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-5-iodopyridazin-3-one (CID 114553325) is 2-(3-hydroxypropyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-5-iodopyridazin-3-one is O=c1cc(I)cnn1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-5-iodopyridazin-3-one?
The InChIKey is FHXGTHNMZRVQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c8-6-4-7(12)10(9-5-6)2-1-3-11/h4-5,11H,1-3H2.
What are the key properties of 2-(3-hydroxypropyl)-5-iodopyridazin-3-one?
2-(3-hydroxypropyl)-5-iodopyridazin-3-one has a molecular weight of 280.06 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).