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

C6H6BrFN2O — CID 165406402

IUPAC6-bromo-2-(2-fluoroethyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1CCF
InChIInChI=1S/C6H6BrFN2O/c7-5-1-2-6(11)10(9-5)4-3-8/h1-2H,3-4H2
InChIKeyWYHKWZLAWMHHKQ-UHFFFAOYSA-N
MW221.03 g/mol
LogP0.98
Rot. Bonds2

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

6-bromo-2-(2-fluoroethyl)pyridazin-3-one (PubChem CID 165406402) has the molecular formula C6H6BrFN2O and a molecular weight of 221.03 g/mol. Its IUPAC name is 6-bromo-2-(2-fluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-bromo-2-(2-fluoroethyl)pyridazin-3-one
PubChem CID165406402
Molecular FormulaC6H6BrFN2O
Molecular Weight221.03 g/mol
Exact Mass219.96
IUPAC Name6-bromo-2-(2-fluoroethyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1CCF
InChIInChI=1S/C6H6BrFN2O/c7-5-1-2-6(11)10(9-5)4-3-8/h1-2H,3-4H2
InChIKeyWYHKWZLAWMHHKQ-UHFFFAOYSA-N
XLogP0.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.03
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-fluoroethyl)pyridazin-3-one?
The IUPAC name of 6-bromo-2-(2-fluoroethyl)pyridazin-3-one (CID 165406402) is 6-bromo-2-(2-fluoroethyl)pyridazin-3-one.
What is the SMILES notation for 6-bromo-2-(2-fluoroethyl)pyridazin-3-one?
The canonical SMILES for 6-bromo-2-(2-fluoroethyl)pyridazin-3-one is O=c1ccc(Br)nn1CCF.
What is the InChIKey of 6-bromo-2-(2-fluoroethyl)pyridazin-3-one?
The InChIKey is WYHKWZLAWMHHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2O/c7-5-1-2-6(11)10(9-5)4-3-8/h1-2H,3-4H2.
What are the key properties of 6-bromo-2-(2-fluoroethyl)pyridazin-3-one?
6-bromo-2-(2-fluoroethyl)pyridazin-3-one has a molecular weight of 221.03 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-fluoroethyl)pyridazin-3-one is sourced from PubChem (CID 165406402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).