5-iodo-2-(2-methoxyethyl)pyridazin-3-one

C7H9IN2O2 — CID 114553498

IUPAC5-iodo-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(I)cc1=O
InChIInChI=1S/C7H9IN2O2/c1-12-3-2-10-7(11)4-6(8)5-9-10/h4-5H,2-3H2,1H3
InChIKeyGQJPBCNNHGXFKU-UHFFFAOYSA-N
MW280.06 g/mol
LogP0.49
Rot. Bonds3

About 5-iodo-2-(2-methoxyethyl)pyridazin-3-one

5-iodo-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 114553498) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 5-iodo-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID114553498
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name5-iodo-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(I)cc1=O
InChIInChI=1S/C7H9IN2O2/c1-12-3-2-10-7(11)4-6(8)5-9-10/h4-5H,2-3H2,1H3
InChIKeyGQJPBCNNHGXFKU-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
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-Iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 114553648
5-Iodo-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
CID 114553723
5-Hydroxy-2-(2-methoxyethyl)pyridazin-3-one
CID 57066440
2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865610
5-chloro-2-(2-methoxyethyl)pyridazin-3(2H)-one
CID 66866737
2-(2-Methoxyethyl)pyridazin-3-one
CID 91288626
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-(2-Methoxyethyl)pyridazin-3-one;hydrochloride
CID 176084314
5-Iodo-2-(methoxymethyl)pyridazin-3-one
CID 91619911
5-Iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103182082
5-Iodo-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one
CID 103411698
5-Iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455795

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(2-methoxyethyl)pyridazin-3-one (CID 114553498) is 5-iodo-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is GQJPBCNNHGXFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-12-3-2-10-7(11)4-6(8)5-9-10/h4-5H,2-3H2,1H3.
What are the key properties of 5-iodo-2-(2-methoxyethyl)pyridazin-3-one?
5-iodo-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 280.06 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 114553498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).