5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one

C20H17FN2O2 — CID 69399403

IUPAC5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one
SMILESCOc1ccccc1-c1c(C)n[nH]c(=O)c1/C=C/c1cccc(F)c1
InChIInChI=1S/C20H17FN2O2/c1-13-19(16-8-3-4-9-18(16)25-2)17(20(24)23-22-13)11-10-14-6-5-7-15(21)12-14/h3-12H,1-2H3,(H,23,24)/b11-10+
InChIKeyKYLBVALJHLJJRM-ZHACJKMWSA-N
MW336.37 g/mol
LogP4.06
Rot. Bonds4

About 5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one

5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one (PubChem CID 69399403) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one
PubChem CID69399403
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one
SMILESCOc1ccccc1-c1c(C)n[nH]c(=O)c1/C=C/c1cccc(F)c1
InChIInChI=1S/C20H17FN2O2/c1-13-19(16-8-3-4-9-18(16)25-2)17(20(24)23-22-13)11-10-14-6-5-7-15(21)12-14/h3-12H,1-2H3,(H,23,24)/b11-10+
InChIKeyKYLBVALJHLJJRM-ZHACJKMWSA-N
XLogP4.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one (CID 69399403) is 5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one is COc1ccccc1-c1c(C)n[nH]c(=O)c1/C=C/c1cccc(F)c1.
What is the InChIKey of 5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one?
The InChIKey is KYLBVALJHLJJRM-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-13-19(16-8-3-4-9-18(16)25-2)17(20(24)23-22-13)11-10-14-6-5-7-15(21)12-14/h3-12H,1-2H3,(H,23,24)/b11-10+.
What are the key properties of 5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one?
5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one has a molecular weight of 336.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-fluorophenyl)ethenyl]-4-(2-methoxyphenyl)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 69399403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).