5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one

C12H9FN2O2 — CID 82445707

IUPAC5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n[nH]c1=O
InChIInChI=1S/C12H9FN2O2/c1-7(16)10-6-11(14-15-12(10)17)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,15,17)
InChIKeyNIJIBMCIWUYGTO-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.78
Rot. Bonds2

About 5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one

5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one (PubChem CID 82445707) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
PubChem CID82445707
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n[nH]c1=O
InChIInChI=1S/C12H9FN2O2/c1-7(16)10-6-11(14-15-12(10)17)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,15,17)
InChIKeyNIJIBMCIWUYGTO-UHFFFAOYSA-N
XLogP1.78
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445462
5-(1-amino-3-methyliminoprop-1-enyl)-3-(4-fluorophenyl)-1H-pyridazin-6-one
CID 174087859
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid
CID 82446124
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
3-(4-fluorophenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
CID 82445694
1-[5-fluoro-2-(4-methylphenyl)phenyl]ethanone
CID 175647024
3-(4-methylphenyl)-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one
CID 82445447
3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide
CID 131863810
6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
CID 91392997

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one (CID 82445707) is 5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one is CC(=O)c1cc(-c2ccc(F)cc2)n[nH]c1=O.
What is the InChIKey of 5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one?
The InChIKey is NIJIBMCIWUYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-7(16)10-6-11(14-15-12(10)17)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,15,17).
What are the key properties of 5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one?
5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one has a molecular weight of 232.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82445707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).