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

C7H8FIN2O — CID 114553726

IUPAC2-(3-fluoropropyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCCF
InChIInChI=1S/C7H8FIN2O/c8-2-1-3-11-7(12)4-6(9)5-10-11/h4-5H,1-3H2
InChIKeyKHDAGTSVBLSIAP-UHFFFAOYSA-N
MW282.06 g/mol
LogP1.21
Rot. Bonds3

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

2-(3-fluoropropyl)-5-iodopyridazin-3-one (PubChem CID 114553726) has the molecular formula C7H8FIN2O and a molecular weight of 282.06 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(3-fluoropropyl)-5-iodopyridazin-3-one
PubChem CID114553726
Molecular FormulaC7H8FIN2O
Molecular Weight282.06 g/mol
Exact Mass281.97
IUPAC Name2-(3-fluoropropyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCCF
InChIInChI=1S/C7H8FIN2O/c8-2-1-3-11-7(12)4-6(9)5-10-11/h4-5H,1-3H2
InChIKeyKHDAGTSVBLSIAP-UHFFFAOYSA-N
XLogP1.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.06
LogP ≤ 51.21
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-Difluoroethyl)-5-iodopyridazin-3-one
CID 114553445
2-(2-Fluoroethyl)pyridazin-3-one
CID 173672755
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-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 114553399
5-Iodo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114553552
2-(2-Fluoroethyl)-5-iodopyridazin-3-one
CID 114553694
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
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-(3-fluoropropyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(3-fluoropropyl)-5-iodopyridazin-3-one (CID 114553726) is 2-(3-fluoropropyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(3-fluoropropyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(3-fluoropropyl)-5-iodopyridazin-3-one is O=c1cc(I)cnn1CCCF.
What is the InChIKey of 2-(3-fluoropropyl)-5-iodopyridazin-3-one?
The InChIKey is KHDAGTSVBLSIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FIN2O/c8-2-1-3-11-7(12)4-6(9)5-10-11/h4-5H,1-3H2.
What are the key properties of 2-(3-fluoropropyl)-5-iodopyridazin-3-one?
2-(3-fluoropropyl)-5-iodopyridazin-3-one has a molecular weight of 282.06 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).