3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C14H14ClF3N2O3 — CID 137378012

IUPAC3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(OCC(F)(F)CO)c(Cl)c1F
InChIInChI=1S/C14H14ClF3N2O3/c1-7-4-10(22)19-20-13(7)8-2-3-9(11(15)12(8)16)23-6-14(17,18)5-21/h2-3,7,21H,4-6H2,1H3,(H,19,22)
InChIKeyZTBDUEIUDAYJLG-UHFFFAOYSA-N
MW350.72 g/mol
LogP2.35
Rot. Bonds5

About 3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137378012) has the molecular formula C14H14ClF3N2O3 and a molecular weight of 350.72 g/mol. Its IUPAC name is 3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137378012
Molecular FormulaC14H14ClF3N2O3
Molecular Weight350.72 g/mol
Exact Mass350.06
IUPAC Name3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(OCC(F)(F)CO)c(Cl)c1F
InChIInChI=1S/C14H14ClF3N2O3/c1-7-4-10(22)19-20-13(7)8-2-3-9(11(15)12(8)16)23-6-14(17,18)5-21/h2-3,7,21H,4-6H2,1H3,(H,19,22)
InChIKeyZTBDUEIUDAYJLG-UHFFFAOYSA-N
XLogP2.35
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.72
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-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

Related Compounds

3-[3-chloro-2-fluoro-4-(3-hydroxy-2,2-dimethylpropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137378225
3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-hydroxyphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137378182
[3-[2-chloro-3-fluoro-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-2,2-difluoropropyl] methanesulfonate
CID 137377986
3-[3-chloro-2-fluoro-4-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137377951
3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137377989
bis[2,2-difluoro-3-[3-fluoro-2-methyl-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl] benzene-1,4-dicarboxylate
CID 175235293
[2,2-difluoro-3-[3-fluoro-2-methyl-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl] methanesulfonate
CID 137378194
3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137378341
3-[2,3-difluoro-4-[(Z)-4-hydroxybut-2-enoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137378096
3-[2,3-difluoro-4-[[1-(hydroxymethyl)cyclopropyl]methoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137378205
3-[2-hydroxy-4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137377976
3-[2-hydroxy-4-(3-hydroxypropoxy)-3-methylphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137378260

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 137378012) is 3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc(OCC(F)(F)CO)c(Cl)c1F.
What is the InChIKey of 3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is ZTBDUEIUDAYJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O3/c1-7-4-10(22)19-20-13(7)8-2-3-9(11(15)12(8)16)23-6-14(17,18)5-21/h2-3,7,21H,4-6H2,1H3,(H,19,22).
What are the key properties of 3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 350.72 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(2,2-difluoro-3-hydroxypropoxy)-2-fluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137378012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).