3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C11H11FN2O2 — CID 135978733

IUPAC3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(O)cc1F
InChIInChI=1S/C11H11FN2O2/c1-6-4-10(16)13-14-11(6)8-3-2-7(15)5-9(8)12/h2-3,5-6,15H,4H2,1H3,(H,13,16)
InChIKeyOBUBYRJEXACJKE-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.39
Rot. Bonds1

About 3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 135978733) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID135978733
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(O)cc1F
InChIInChI=1S/C11H11FN2O2/c1-6-4-10(16)13-14-11(6)8-3-2-7(15)5-9(8)12/h2-3,5-6,15H,4H2,1H3,(H,13,16)
InChIKeyOBUBYRJEXACJKE-UHFFFAOYSA-N
XLogP1.39
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 135978733) is 3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc(O)cc1F.
What is the InChIKey of 3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is OBUBYRJEXACJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-6-4-10(16)13-14-11(6)8-3-2-7(15)5-9(8)12/h2-3,5-6,15H,4H2,1H3,(H,13,16).
What are the key properties of 3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 222.22 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 135978733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).