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

C18H15FN2O2 — CID 7660037

IUPAC2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C18H15FN2O2/c1-23-15-8-6-13(7-9-15)17-10-11-18(22)21(20-17)12-14-4-2-3-5-16(14)19/h2-11H,12H2,1H3
InChIKeyZGPPTUPLOQXVPB-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.11
Rot. Bonds4

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

2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 7660037) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID7660037
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C18H15FN2O2/c1-23-15-8-6-13(7-9-15)17-10-11-18(22)21(20-17)12-14-4-2-3-5-16(14)19/h2-11H,12H2,1H3
InChIKeyZGPPTUPLOQXVPB-UHFFFAOYSA-N
XLogP3.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (CID 7660037) is 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3ccccc3F)n2)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is ZGPPTUPLOQXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-23-15-8-6-13(7-9-15)17-10-11-18(22)21(20-17)12-14-4-2-3-5-16(14)19/h2-11H,12H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 310.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 7660037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).