3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C16H13FN2O2 — CID 137473738

IUPAC3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-c3ccccc3O)c(F)c2)=NN1
InChIInChI=1S/C16H13FN2O2/c17-13-9-10(14-7-8-16(21)19-18-14)5-6-11(13)12-3-1-2-4-15(12)20/h1-6,9,20H,7-8H2,(H,19,21)
InChIKeyPRVFNCYZEZNJAK-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.81
Rot. Bonds2

About 3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137473738) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137473738
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-c3ccccc3O)c(F)c2)=NN1
InChIInChI=1S/C16H13FN2O2/c17-13-9-10(14-7-8-16(21)19-18-14)5-6-11(13)12-3-1-2-4-15(12)20/h1-6,9,20H,7-8H2,(H,19,21)
InChIKeyPRVFNCYZEZNJAK-UHFFFAOYSA-N
XLogP2.81
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137473738) is 3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(-c3ccccc3O)c(F)c2)=NN1.
What is the InChIKey of 3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is PRVFNCYZEZNJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-9-10(14-7-8-16(21)19-18-14)5-6-11(13)12-3-1-2-4-15(12)20/h1-6,9,20H,7-8H2,(H,19,21).
What are the key properties of 3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 284.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137473738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).