3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one

C11H9FN2O — CID 112679302

IUPAC3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1ccccc1F
InChIInChI=1S/C11H9FN2O/c1-7-6-10(15)13-14-11(7)8-4-2-3-5-9(8)12/h2-6H,1H3,(H,13,15)
InChIKeyMCHNLAHGYDYNEN-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.88
Rot. Bonds1

About 3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one

3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one (PubChem CID 112679302) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one
PubChem CID112679302
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1ccccc1F
InChIInChI=1S/C11H9FN2O/c1-7-6-10(15)13-14-11(7)8-4-2-3-5-9(8)12/h2-6H,1H3,(H,13,15)
InChIKeyMCHNLAHGYDYNEN-UHFFFAOYSA-N
XLogP1.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluorophenyl)-4-methyl-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-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one (CID 112679302) is 3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one is Cc1cc(=O)[nH]nc1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one?
The InChIKey is MCHNLAHGYDYNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-7-6-10(15)13-14-11(7)8-4-2-3-5-9(8)12/h2-6H,1H3,(H,13,15).
What are the key properties of 3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one?
3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one has a molecular weight of 204.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 112679302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).