4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one

C17H14F2N2O2 — CID 90368768

IUPAC4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one
SMILESCC1(O)NNC(=O)C(c2c(F)cccc2F)=C1c1ccccc1
InChIInChI=1S/C17H14F2N2O2/c1-17(23)15(10-6-3-2-4-7-10)14(16(22)20-21-17)13-11(18)8-5-9-12(13)19/h2-9,21,23H,1H3,(H,20,22)
InChIKeyBSEOKXXPIALPAF-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.22
Rot. Bonds2

About 4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one

4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one (PubChem CID 90368768) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one
PubChem CID90368768
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one
SMILESCC1(O)NNC(=O)C(c2c(F)cccc2F)=C1c1ccccc1
InChIInChI=1S/C17H14F2N2O2/c1-17(23)15(10-6-3-2-4-7-10)14(16(22)20-21-17)13-11(18)8-5-9-12(13)19/h2-9,21,23H,1H3,(H,20,22)
InChIKeyBSEOKXXPIALPAF-UHFFFAOYSA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one?
The IUPAC name of 4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one (CID 90368768) is 4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one.
What is the SMILES notation for 4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one?
The canonical SMILES for 4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one is CC1(O)NNC(=O)C(c2c(F)cccc2F)=C1c1ccccc1.
What is the InChIKey of 4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one?
The InChIKey is BSEOKXXPIALPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-17(23)15(10-6-3-2-4-7-10)14(16(22)20-21-17)13-11(18)8-5-9-12(13)19/h2-9,21,23H,1H3,(H,20,22).
What are the key properties of 4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one?
4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one has a molecular weight of 316.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-6-hydroxy-6-methyl-5-phenyl-1,2-dihydropyridazin-3-one is sourced from PubChem (CID 90368768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).