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

C7H9IN2O2 — CID 114553389

IUPAC2-(ethoxymethyl)-5-iodopyridazin-3-one
SMILESCCOCn1ncc(I)cc1=O
InChIInChI=1S/C7H9IN2O2/c1-2-12-5-10-7(11)3-6(8)4-9-10/h3-4H,2,5H2,1H3
InChIKeyIOYNQSCYCJOOCZ-UHFFFAOYSA-N
MW280.06 g/mol
LogP0.84
Rot. Bonds3

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

2-(ethoxymethyl)-5-iodopyridazin-3-one (PubChem CID 114553389) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-iodopyridazin-3-one
PubChem CID114553389
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name2-(ethoxymethyl)-5-iodopyridazin-3-one
SMILESCCOCn1ncc(I)cc1=O
InChIInChI=1S/C7H9IN2O2/c1-2-12-5-10-7(11)3-6(8)4-9-10/h3-4H,2,5H2,1H3
InChIKeyIOYNQSCYCJOOCZ-UHFFFAOYSA-N
XLogP0.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(ethoxymethyl)-5-iodopyridazin-3-one (CID 114553389) is 2-(ethoxymethyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(ethoxymethyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(ethoxymethyl)-5-iodopyridazin-3-one is CCOCn1ncc(I)cc1=O.
What is the InChIKey of 2-(ethoxymethyl)-5-iodopyridazin-3-one?
The InChIKey is IOYNQSCYCJOOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-2-12-5-10-7(11)3-6(8)4-9-10/h3-4H,2,5H2,1H3.
What are the key properties of 2-(ethoxymethyl)-5-iodopyridazin-3-one?
2-(ethoxymethyl)-5-iodopyridazin-3-one has a molecular weight of 280.06 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).