2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one

C18H15FN2O2 — CID 7660038

IUPAC2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H15FN2O2/c1-23-16-7-5-14(6-8-16)17-9-10-18(22)21(20-17)12-13-3-2-4-15(19)11-13/h2-11H,12H2,1H3
InChIKeyGMCFREFYHMBQLC-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.11
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one

2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 7660038) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID7660038
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H15FN2O2/c1-23-16-7-5-14(6-8-16)17-9-10-18(22)21(20-17)12-13-3-2-4-15(19)11-13/h2-11H,12H2,1H3
InChIKeyGMCFREFYHMBQLC-UHFFFAOYSA-N
XLogP3.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-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 2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (CID 7660038) is 2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is GMCFREFYHMBQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-23-16-7-5-14(6-8-16)17-9-10-18(22)21(20-17)12-13-3-2-4-15(19)11-13/h2-11H,12H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 310.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 7660038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).