2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone

C8H5BrFN3O — CID 141437142

IUPAC2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone
SMILESO=C(CBr)c1cnc2ccc(F)nn12
InChIInChI=1S/C8H5BrFN3O/c9-3-6(14)5-4-11-8-2-1-7(10)12-13(5)8/h1-2,4H,3H2
InChIKeyXLLGZMLBRXAVJY-UHFFFAOYSA-N
MW258.05 g/mol
LogP1.45
Rot. Bonds2

About 2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone

2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone (PubChem CID 141437142) has the molecular formula C8H5BrFN3O and a molecular weight of 258.05 g/mol. Its IUPAC name is 2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone
PubChem CID141437142
Molecular FormulaC8H5BrFN3O
Molecular Weight258.05 g/mol
Exact Mass256.96
IUPAC Name2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone
SMILESO=C(CBr)c1cnc2ccc(F)nn12
InChIInChI=1S/C8H5BrFN3O/c9-3-6(14)5-4-11-8-2-1-7(10)12-13(5)8/h1-2,4H,3H2
InChIKeyXLLGZMLBRXAVJY-UHFFFAOYSA-N
XLogP1.45
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(6-Chloroimidazo(1,2-b)pyridazin-3-yl)ethan-1-one
CID 13248805
Imidazo[1,2-b]pyridazine-3-carboxaldehyde
CID 45083595
6-(3-Fluoropiperidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 89515691
6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126708950
6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126708995
6-(3,3-Difluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 126709205
1-(6-Fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone
CID 141437127
6-(3-Fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 146415953
6-(3-Fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl chloride
CID 146415973
6-Fluoroimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 170973287
6-(3-Fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbaldehyde
CID 153536351
1-[6-(Trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]ethanone
CID 168488235

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone?
The IUPAC name of 2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone (CID 141437142) is 2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone?
The canonical SMILES for 2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone is O=C(CBr)c1cnc2ccc(F)nn12.
What is the InChIKey of 2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone?
The InChIKey is XLLGZMLBRXAVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3O/c9-3-6(14)5-4-11-8-2-1-7(10)12-13(5)8/h1-2,4H,3H2.
What are the key properties of 2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone?
2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone has a molecular weight of 258.05 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone is sourced from PubChem (CID 141437142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).