5-iodo-2-(oxolan-3-yl)pyridazin-3-one

C8H9IN2O2 — CID 114553567

IUPAC5-iodo-2-(oxolan-3-yl)pyridazin-3-one
SMILESO=c1cc(I)cnn1C1CCOC1
InChIInChI=1S/C8H9IN2O2/c9-6-3-8(12)11(10-4-6)7-1-2-13-5-7/h3-4,7H,1-2,5H2
InChIKeyREFBLRMSXNKBLG-UHFFFAOYSA-N
MW292.08 g/mol
LogP0.81
Rot. Bonds1

About 5-iodo-2-(oxolan-3-yl)pyridazin-3-one

5-iodo-2-(oxolan-3-yl)pyridazin-3-one (PubChem CID 114553567) has the molecular formula C8H9IN2O2 and a molecular weight of 292.08 g/mol. Its IUPAC name is 5-iodo-2-(oxolan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(oxolan-3-yl)pyridazin-3-one
PubChem CID114553567
Molecular FormulaC8H9IN2O2
Molecular Weight292.08 g/mol
Exact Mass291.97
IUPAC Name5-iodo-2-(oxolan-3-yl)pyridazin-3-one
SMILESO=c1cc(I)cnn1C1CCOC1
InChIInChI=1S/C8H9IN2O2/c9-6-3-8(12)11(10-4-6)7-1-2-13-5-7/h3-4,7H,1-2,5H2
InChIKeyREFBLRMSXNKBLG-UHFFFAOYSA-N
XLogP0.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-2-(oxolan-3-yl)pyridazin-3-one
CID 177774600
5-Chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane
CID 178006943
5-Iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103182082
5-Iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455795
5-Iodo-2-(2-propoxyethyl)pyridazin-3-one
CID 106455796
5-Iodo-2-(oxan-3-yl)pyridazin-3-one
CID 107137202
2-(2-Ethoxyethyl)-5-iodopyridazin-3-one
CID 114553305
2-(3-Ethoxypropyl)-5-iodopyridazin-3-one
CID 114553355
5-Iodo-2-(1-methoxypropan-2-yl)pyridazin-3-one
CID 114553408
5-Iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 114553434
5-Iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
CID 114553616
5-Iodo-2-(2-methoxypropyl)pyridazin-3-one
CID 114553632

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(oxolan-3-yl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(oxolan-3-yl)pyridazin-3-one (CID 114553567) is 5-iodo-2-(oxolan-3-yl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(oxolan-3-yl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(oxolan-3-yl)pyridazin-3-one is O=c1cc(I)cnn1C1CCOC1.
What is the InChIKey of 5-iodo-2-(oxolan-3-yl)pyridazin-3-one?
The InChIKey is REFBLRMSXNKBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O2/c9-6-3-8(12)11(10-4-6)7-1-2-13-5-7/h3-4,7H,1-2,5H2.
What are the key properties of 5-iodo-2-(oxolan-3-yl)pyridazin-3-one?
5-iodo-2-(oxolan-3-yl)pyridazin-3-one has a molecular weight of 292.08 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(oxolan-3-yl)pyridazin-3-one is sourced from PubChem (CID 114553567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).