6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one

C21H17FN2O3 — CID 141166537

IUPAC6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(CC2(c3ccc(F)cc3)OC=CO2)ccc1=O
InChIInChI=1S/C21H17FN2O3/c1-15-4-2-3-5-19(15)24-20(25)11-10-18(23-24)14-21(26-12-13-27-21)16-6-8-17(22)9-7-16/h2-13H,14H2,1H3
InChIKeyYDIPBQCARGRYBG-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.59
Rot. Bonds4

About 6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one

6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one (PubChem CID 141166537) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
PubChem CID141166537
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(CC2(c3ccc(F)cc3)OC=CO2)ccc1=O
InChIInChI=1S/C21H17FN2O3/c1-15-4-2-3-5-19(15)24-20(25)11-10-18(23-24)14-21(26-12-13-27-21)16-6-8-17(22)9-7-16/h2-13H,14H2,1H3
InChIKeyYDIPBQCARGRYBG-UHFFFAOYSA-N
XLogP3.59
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one (CID 141166537) is 6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one is Cc1ccccc1-n1nc(CC2(c3ccc(F)cc3)OC=CO2)ccc1=O.
What is the InChIKey of 6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one?
The InChIKey is YDIPBQCARGRYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c1-15-4-2-3-5-19(15)24-20(25)11-10-18(23-24)14-21(26-12-13-27-21)16-6-8-17(22)9-7-16/h2-13H,14H2,1H3.
What are the key properties of 6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one?
6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one has a molecular weight of 364.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 141166537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).