5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one

C17H13FN2O3Se — CID 10271736

IUPAC5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one
SMILESC[Se](=O)(=O)c1ccc(-c2cn[nH]c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FN2O3Se/c1-24(22,23)14-8-4-11(5-9-14)15-10-19-20-17(21)16(15)12-2-6-13(18)7-3-12/h2-10H,1H3,(H,20,21)
InChIKeyMZCWEPRZMGPKHK-UHFFFAOYSA-N
MW391.26 g/mol
LogP2.38
Rot. Bonds3

About 5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one

5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one (PubChem CID 10271736) has the molecular formula C17H13FN2O3Se and a molecular weight of 391.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one
PubChem CID10271736
Molecular FormulaC17H13FN2O3Se
Molecular Weight391.26 g/mol
Exact Mass392.01
IUPAC Name5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one
SMILESC[Se](=O)(=O)c1ccc(-c2cn[nH]c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FN2O3Se/c1-24(22,23)14-8-4-11(5-9-14)15-10-19-20-17(21)16(15)12-2-6-13(18)7-3-12/h2-10H,1H3,(H,20,21)
InChIKeyMZCWEPRZMGPKHK-UHFFFAOYSA-N
XLogP2.38
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one
CID 101246039
CID 70486296
CID 70486296
5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium
CID 58714115
[4-[5-(4-chlorophenyl)-6-oxo-1H-pyridazin-4-yl]phenyl]methanesulfinate
CID 174375147
3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylpropanoic acid
CID 105423684
5-fluoro-4-(4-methylphenyl)-1H-pyrazole
CID 137387558
ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 143047131
6-(4-fluorophenyl)-1H-pyridazin-4-one
CID 150520017
5-(4-fluorophenyl)-2H-1,2,4-triazin-3-one
CID 14923087
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]aniline;2,2,2-trifluoroacetic acid
CID 117076491
N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 117076489
2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one
CID 10221746

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one (CID 10271736) is 5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one is C[Se](=O)(=O)c1ccc(-c2cn[nH]c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one?
The InChIKey is MZCWEPRZMGPKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3Se/c1-24(22,23)14-8-4-11(5-9-14)15-10-19-20-17(21)16(15)12-2-6-13(18)7-3-12/h2-10H,1H3,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one?
5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one has a molecular weight of 391.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methylselenonylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 10271736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).