3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one

C17H15FN2O — CID 137463145

IUPAC3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cc(C2=NNC(=O)CC2)ccc1-c1ccccc1F
InChIInChI=1S/C17H15FN2O/c1-11-10-12(16-8-9-17(21)20-19-16)6-7-13(11)14-4-2-3-5-15(14)18/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyOHHQQVYXKGRTNU-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.42
Rot. Bonds2

About 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137463145) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137463145
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cc(C2=NNC(=O)CC2)ccc1-c1ccccc1F
InChIInChI=1S/C17H15FN2O/c1-11-10-12(16-8-9-17(21)20-19-16)6-7-13(11)14-4-2-3-5-15(14)18/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyOHHQQVYXKGRTNU-UHFFFAOYSA-N
XLogP3.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137463145) is 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one is Cc1cc(C2=NNC(=O)CC2)ccc1-c1ccccc1F.
What is the InChIKey of 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is OHHQQVYXKGRTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-10-12(16-8-9-17(21)20-19-16)6-7-13(11)14-4-2-3-5-15(14)18/h2-7,10H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 282.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137463145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).