3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one

C11H9FN2O2 — CID 173233297

IUPAC3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one
SMILESCOc1cc(=O)[nH]nc1-c1cccc(F)c1
InChIInChI=1S/C11H9FN2O2/c1-16-9-6-10(15)13-14-11(9)7-3-2-4-8(12)5-7/h2-6H,1H3,(H,13,15)
InChIKeyJKJZEBFPUNLZJR-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.58
Rot. Bonds2

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

3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one (PubChem CID 173233297) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one
PubChem CID173233297
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one
SMILESCOc1cc(=O)[nH]nc1-c1cccc(F)c1
InChIInChI=1S/C11H9FN2O2/c1-16-9-6-10(15)13-14-11(9)7-3-2-4-8(12)5-7/h2-6H,1H3,(H,13,15)
InChIKeyJKJZEBFPUNLZJR-UHFFFAOYSA-N
XLogP1.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-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 3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one?
The IUPAC name of 3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one (CID 173233297) is 3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one is COc1cc(=O)[nH]nc1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one?
The InChIKey is JKJZEBFPUNLZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-16-9-6-10(15)13-14-11(9)7-3-2-4-8(12)5-7/h2-6H,1H3,(H,13,15).
What are the key properties of 3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one?
3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one has a molecular weight of 220.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one is sourced from PubChem (CID 173233297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).