2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one

C11H9FN2O2S — CID 82421643

IUPAC2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
SMILESO=c1cc(O)c(CS)nn1-c1ccccc1F
InChIInChI=1S/C11H9FN2O2S/c12-7-3-1-2-4-9(7)14-11(16)5-10(15)8(6-17)13-14/h1-5,15,17H,6H2
InChIKeyCIKSOLPFIZYKPT-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.51
Rot. Bonds2

About 2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one

2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one (PubChem CID 82421643) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
PubChem CID82421643
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
SMILESO=c1cc(O)c(CS)nn1-c1ccccc1F
InChIInChI=1S/C11H9FN2O2S/c12-7-3-1-2-4-9(7)14-11(16)5-10(15)8(6-17)13-14/h1-5,15,17H,6H2
InChIKeyCIKSOLPFIZYKPT-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one
CID 82419557
6-[(cyclopropylamino)methyl]-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one
CID 82421633
2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one
CID 82421632
2-(2,5-dimethylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420377
2-(2,4-dimethylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82419188
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420509
5-hydroxy-6-(sulfanylmethyl)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 82421448
2-[1-(2,5-difluorophenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
CID 82421564
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
2-(3-chloro-4-methylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82419409
6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82421558
6-[(cyclopropylamino)methyl]-2-(2,6-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82420777

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one?
The IUPAC name of 2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one (CID 82421643) is 2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one is O=c1cc(O)c(CS)nn1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one?
The InChIKey is CIKSOLPFIZYKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-7-3-1-2-4-9(7)14-11(16)5-10(15)8(6-17)13-14/h1-5,15,17H,6H2.
What are the key properties of 2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one?
2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one has a molecular weight of 252.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one is sourced from PubChem (CID 82421643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).