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

C19H15FN2O2 — CID 155530728

IUPAC2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one
SMILESCOc1ccccc1/C=C/c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H15FN2O2/c1-24-18-5-3-2-4-14(18)6-9-16-10-13-19(23)22(21-16)17-11-7-15(20)8-12-17/h2-13H,1H3/b9-6+
InChIKeyCVWNHYPGKTUTJX-RMKNXTFCSA-N
MW322.34 g/mol
LogP3.55
Rot. Bonds4

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

2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one (PubChem CID 155530728) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one
PubChem CID155530728
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one
SMILESCOc1ccccc1/C=C/c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H15FN2O2/c1-24-18-5-3-2-4-14(18)6-9-16-10-13-19(23)22(21-16)17-11-7-15(20)8-12-17/h2-13H,1H3/b9-6+
InChIKeyCVWNHYPGKTUTJX-RMKNXTFCSA-N
XLogP3.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one (CID 155530728) is 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one is COc1ccccc1/C=C/c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one?
The InChIKey is CVWNHYPGKTUTJX-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-24-18-5-3-2-4-14(18)6-9-16-10-13-19(23)22(21-16)17-11-7-15(20)8-12-17/h2-13H,1H3/b9-6+.
What are the key properties of 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one?
2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one has a molecular weight of 322.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one is sourced from PubChem (CID 155530728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).