2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one

C19H15FN2O — CID 155563845

IUPAC2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one
SMILESCc1cccc(/C=C/c2ccc(=O)n(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H15FN2O/c1-14-3-2-4-15(13-14)5-8-17-9-12-19(23)22(21-17)18-10-6-16(20)7-11-18/h2-13H,1H3/b8-5+
InChIKeyUYTNBGXLSCOIDY-VMPITWQZSA-N
MW306.34 g/mol
LogP3.85
Rot. Bonds3

About 2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one

2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one (PubChem CID 155563845) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one
PubChem CID155563845
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one
SMILESCc1cccc(/C=C/c2ccc(=O)n(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H15FN2O/c1-14-3-2-4-15(13-14)5-8-17-9-12-19(23)22(21-17)18-10-6-16(20)7-11-18/h2-13H,1H3/b8-5+
InChIKeyUYTNBGXLSCOIDY-VMPITWQZSA-N
XLogP3.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one (CID 155563845) is 2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one is Cc1cccc(/C=C/c2ccc(=O)n(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one?
The InChIKey is UYTNBGXLSCOIDY-VMPITWQZSA-N. The full InChI is InChI=1S/C19H15FN2O/c1-14-3-2-4-15(13-14)5-8-17-9-12-19(23)22(21-17)18-10-6-16(20)7-11-18/h2-13H,1H3/b8-5+.
What are the key properties of 2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one?
2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one has a molecular weight of 306.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[(E)-2-(3-methylphenyl)ethenyl]pyridazin-3-one is sourced from PubChem (CID 155563845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).