2-(fluoromethyl)pyridazin-3-one

C5H5FN2O — CID 140988504

IUPAC2-(fluoromethyl)pyridazin-3-one
SMILESO=c1cccnn1CF
InChIInChI=1S/C5H5FN2O/c6-4-8-5(9)2-1-3-7-8/h1-3H,4H2
InChIKeyZAIIJVYNBJSOTD-UHFFFAOYSA-N
MW128.11 g/mol
LogP0.17
Rot. Bonds1

About 2-(fluoromethyl)pyridazin-3-one

2-(fluoromethyl)pyridazin-3-one (PubChem CID 140988504) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 2-(fluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(fluoromethyl)pyridazin-3-one
PubChem CID140988504
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name2-(fluoromethyl)pyridazin-3-one
SMILESO=c1cccnn1CF
InChIInChI=1S/C5H5FN2O/c6-4-8-5(9)2-1-3-7-8/h1-3H,4H2
InChIKeyZAIIJVYNBJSOTD-UHFFFAOYSA-N
XLogP0.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(fluoromethyl)pyridazin-3-one (CID 140988504) is 2-(fluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(fluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(fluoromethyl)pyridazin-3-one is O=c1cccnn1CF.
What is the InChIKey of 2-(fluoromethyl)pyridazin-3-one?
The InChIKey is ZAIIJVYNBJSOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c6-4-8-5(9)2-1-3-7-8/h1-3H,4H2.
What are the key properties of 2-(fluoromethyl)pyridazin-3-one?
2-(fluoromethyl)pyridazin-3-one has a molecular weight of 128.11 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)pyridazin-3-one is sourced from PubChem (CID 140988504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).