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

C6H6FIN2O — CID 114553694

IUPAC2-(2-fluoroethyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCF
InChIInChI=1S/C6H6FIN2O/c7-1-2-10-6(11)3-5(8)4-9-10/h3-4H,1-2H2
InChIKeyZVMKPILOXSUJNC-UHFFFAOYSA-N
MW268.03 g/mol
LogP0.82
Rot. Bonds2

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

2-(2-fluoroethyl)-5-iodopyridazin-3-one (PubChem CID 114553694) has the molecular formula C6H6FIN2O and a molecular weight of 268.03 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-iodopyridazin-3-one
PubChem CID114553694
Molecular FormulaC6H6FIN2O
Molecular Weight268.03 g/mol
Exact Mass267.95
IUPAC Name2-(2-fluoroethyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCF
InChIInChI=1S/C6H6FIN2O/c7-1-2-10-6(11)3-5(8)4-9-10/h3-4H,1-2H2
InChIKeyZVMKPILOXSUJNC-UHFFFAOYSA-N
XLogP0.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-2-methyl-2,3-dihydropyridazin-3-one
CID 11230092
2-(2,2,2-Trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 91321894
2-(2,2-Difluoroethyl)-5-iodopyridazin-3-one
CID 114553445
2-(2-Fluoroethyl)pyridazin-3-one
CID 173672755
2-(1,2,2-Trifluoroethyl)pyridazin-3-one
CID 174406516
5-Iodo-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 114553299
5-Iodo-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114553308
2-(Difluoromethyl)-5-iodopyridazin-3-one
CID 114553367
5-Iodo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114553552
2-(3-Fluoropropyl)-5-iodopyridazin-3-one
CID 114553726
5-Iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one
CID 130526690
5-Iodo-2-propan-2-ylpyridazin-3-one
CID 114553312

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(2-fluoroethyl)-5-iodopyridazin-3-one (CID 114553694) is 2-(2-fluoroethyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(2-fluoroethyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(2-fluoroethyl)-5-iodopyridazin-3-one is O=c1cc(I)cnn1CCF.
What is the InChIKey of 2-(2-fluoroethyl)-5-iodopyridazin-3-one?
The InChIKey is ZVMKPILOXSUJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FIN2O/c7-1-2-10-6(11)3-5(8)4-9-10/h3-4H,1-2H2.
What are the key properties of 2-(2-fluoroethyl)-5-iodopyridazin-3-one?
2-(2-fluoroethyl)-5-iodopyridazin-3-one has a molecular weight of 268.03 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).