2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one

C12H11FN2O2 — CID 118914991

IUPAC2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one
SMILESCc1cc(=O)n(-c2ccc(F)cc2)nc1CO
InChIInChI=1S/C12H11FN2O2/c1-8-6-12(17)15(14-11(8)7-16)10-4-2-9(13)3-5-10/h2-6,16H,7H2,1H3
InChIKeyVKADGDFJGAIXOD-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.17
Rot. Bonds2

About 2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one

2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one (PubChem CID 118914991) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one
PubChem CID118914991
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one
SMILESCc1cc(=O)n(-c2ccc(F)cc2)nc1CO
InChIInChI=1S/C12H11FN2O2/c1-8-6-12(17)15(14-11(8)7-16)10-4-2-9(13)3-5-10/h2-6,16H,7H2,1H3
InChIKeyVKADGDFJGAIXOD-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 4998861
1,6-Dihydropyridazine-3-carboxylic acid, 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-, ethyl ester
CID 709551
5-Cyano-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylic acid
CID 956615
1-(2-Fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 16770912
6-Oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylic acid
CID 16771713
1,6-Dihydropyridazine-3-carboxylic acid, 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-
CID 707364
5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one
CID 10198008
1-(4-Fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 16777017
1-(2,4-Difluorophenyl)-6-oxopyridazine-3-carboxylic acid
CID 16773500
6-Acetyl-2-(4-fluorophenyl)-4-(2-hydroxyethylsulfanyl)-5-methylpyridazin-3-one
CID 18412013
Ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 54699288
Methyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 57768495

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one (CID 118914991) is 2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one is Cc1cc(=O)n(-c2ccc(F)cc2)nc1CO.
What is the InChIKey of 2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one?
The InChIKey is VKADGDFJGAIXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-8-6-12(17)15(14-11(8)7-16)10-4-2-9(13)3-5-10/h2-6,16H,7H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one?
2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one has a molecular weight of 234.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 118914991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).