3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

C10H9FN2O2 — CID 135978723

IUPAC3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(O)c(F)c2)=NN1
InChIInChI=1S/C10H9FN2O2/c11-7-5-6(1-3-9(7)14)8-2-4-10(15)13-12-8/h1,3,5,14H,2,4H2,(H,13,15)
InChIKeyBJPZAPQSNTVTAU-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.15
Rot. Bonds1

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

3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 135978723) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID135978723
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(O)c(F)c2)=NN1
InChIInChI=1S/C10H9FN2O2/c11-7-5-6(1-3-9(7)14)8-2-4-10(15)13-12-8/h1,3,5,14H,2,4H2,(H,13,15)
InChIKeyBJPZAPQSNTVTAU-UHFFFAOYSA-N
XLogP1.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 135978723) is 3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(O)c(F)c2)=NN1.
What is the InChIKey of 3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is BJPZAPQSNTVTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-7-5-6(1-3-9(7)14)8-2-4-10(15)13-12-8/h1,3,5,14H,2,4H2,(H,13,15).
What are the key properties of 3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 208.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 135978723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).