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

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Related Compounds

3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137465198
3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463145
5-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462743
3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473956
3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463241
3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463297
3-[2-(2-hydroxyphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 14742883
3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135833413
3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135990622
2-fluoro-3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzonitrile
CID 137463494
3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 154614507
3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 54155434

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).