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

C13H15FN2O2 — CID 137378136

IUPAC3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cc(C2=NNC(=O)CC2C)c(F)c(C)c1O
InChIInChI=1S/C13H15FN2O2/c1-6-5-10(17)15-16-12(6)9-4-7(2)13(18)8(3)11(9)14/h4,6,18H,5H2,1-3H3,(H,15,17)
InChIKeyHVSQGIDWLCCXBQ-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.01
Rot. Bonds1

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

3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137378136) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137378136
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cc(C2=NNC(=O)CC2C)c(F)c(C)c1O
InChIInChI=1S/C13H15FN2O2/c1-6-5-10(17)15-16-12(6)9-4-7(2)13(18)8(3)11(9)14/h4,6,18H,5H2,1-3H3,(H,15,17)
InChIKeyHVSQGIDWLCCXBQ-UHFFFAOYSA-N
XLogP2.01
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 137378136) is 3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is Cc1cc(C2=NNC(=O)CC2C)c(F)c(C)c1O.
What is the InChIKey of 3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is HVSQGIDWLCCXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-6-5-10(17)15-16-12(6)9-4-7(2)13(18)8(3)11(9)14/h4,6,18H,5H2,1-3H3,(H,15,17).
What are the key properties of 3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(2-fluoro-4-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 250.27 g/mol, XLogP of 2.01, 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-hydroxy-3,5-dimethylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137378136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).