2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one

C23H16F2N2OSe — CID 10138955

IUPAC2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one
SMILESC[Se]c1ccc(-c2cnn(-c3ccc(F)cc3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16F2N2OSe/c1-29-20-12-4-15(5-13-20)21-14-26-27(19-10-8-18(25)9-11-19)23(28)22(21)16-2-6-17(24)7-3-16/h2-14H,1H3
InChIKeyHBLNWUBYCDMFCU-UHFFFAOYSA-N
MW453.35 g/mol
LogP4.22
Rot. Bonds4

About 2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one

2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one (PubChem CID 10138955) has the molecular formula C23H16F2N2OSe and a molecular weight of 453.35 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one
PubChem CID10138955
Molecular FormulaC23H16F2N2OSe
Molecular Weight453.35 g/mol
Exact Mass454.04
IUPAC Name2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one
SMILESC[Se]c1ccc(-c2cnn(-c3ccc(F)cc3)c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16F2N2OSe/c1-29-20-12-4-15(5-13-20)21-14-26-27(19-10-8-18(25)9-11-19)23(28)22(21)16-2-6-17(24)7-3-16/h2-14H,1H3
InChIKeyHBLNWUBYCDMFCU-UHFFFAOYSA-N
XLogP4.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-2,5-bis(4-methylsulfonylphenyl)pyridazin-3-one
CID 10185280
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(4-phenoxyphenyl)pyridazin-3-one
CID 10142368
4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 10296606
2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 139947672
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one
CID 10297026
[4-[5-(4-fluorophenyl)-6-oxo-1-thiophen-2-ylpyridazin-4-yl]phenyl]methanesulfinate
CID 174386585
[4-[1-(3-bromophenyl)-5-(4-fluorophenyl)-6-oxopyridazin-4-yl]phenyl]methanesulfinic acid
CID 174378593
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 10180820
[4-[5-cyclohexyl-1-(4-fluorophenyl)-6-oxopyridazin-4-yl]phenyl]methanesulfinic acid
CID 174378598
4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
CID 1487494
2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one
CID 10221746
[4-[1-(4-fluorophenyl)-6-oxo-5-pentoxypyridazin-4-yl]phenyl]methanesulfinic acid
CID 174386843

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one?
The IUPAC name of 2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one (CID 10138955) is 2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one.
What is the SMILES notation for 2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one?
The canonical SMILES for 2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one is C[Se]c1ccc(-c2cnn(-c3ccc(F)cc3)c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one?
The InChIKey is HBLNWUBYCDMFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2OSe/c1-29-20-12-4-15(5-13-20)21-14-26-27(19-10-8-18(25)9-11-19)23(28)22(21)16-2-6-17(24)7-3-16/h2-14H,1H3.
What are the key properties of 2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one?
2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one has a molecular weight of 453.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one is sourced from PubChem (CID 10138955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).