6-bromo-2-(fluoromethyl)pyridazin-3-one

C5H4BrFN2O — CID 165406444

IUPAC6-bromo-2-(fluoromethyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1CF
InChIInChI=1S/C5H4BrFN2O/c6-4-1-2-5(10)9(3-7)8-4/h1-2H,3H2
InChIKeyGVTRNNUPNRDUGZ-UHFFFAOYSA-N
MW207.00 g/mol
LogP0.93
Rot. Bonds1

About 6-bromo-2-(fluoromethyl)pyridazin-3-one

6-bromo-2-(fluoromethyl)pyridazin-3-one (PubChem CID 165406444) has the molecular formula C5H4BrFN2O and a molecular weight of 207.00 g/mol. Its IUPAC name is 6-bromo-2-(fluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-bromo-2-(fluoromethyl)pyridazin-3-one
PubChem CID165406444
Molecular FormulaC5H4BrFN2O
Molecular Weight207.00 g/mol
Exact Mass205.95
IUPAC Name6-bromo-2-(fluoromethyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1CF
InChIInChI=1S/C5H4BrFN2O/c6-4-1-2-5(10)9(3-7)8-4/h1-2H,3H2
InChIKeyGVTRNNUPNRDUGZ-UHFFFAOYSA-N
XLogP0.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.00
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(fluoromethyl)pyridazin-3-one?
The IUPAC name of 6-bromo-2-(fluoromethyl)pyridazin-3-one (CID 165406444) is 6-bromo-2-(fluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-bromo-2-(fluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-bromo-2-(fluoromethyl)pyridazin-3-one is O=c1ccc(Br)nn1CF.
What is the InChIKey of 6-bromo-2-(fluoromethyl)pyridazin-3-one?
The InChIKey is GVTRNNUPNRDUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN2O/c6-4-1-2-5(10)9(3-7)8-4/h1-2H,3H2.
What are the key properties of 6-bromo-2-(fluoromethyl)pyridazin-3-one?
6-bromo-2-(fluoromethyl)pyridazin-3-one has a molecular weight of 207.00 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(fluoromethyl)pyridazin-3-one is sourced from PubChem (CID 165406444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).