6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one

C11H8BrFN2O2 — CID 82421640

IUPAC6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one
SMILESO=c1cc(O)c(CBr)nn1-c1ccccc1F
InChIInChI=1S/C11H8BrFN2O2/c12-6-8-10(16)5-11(17)15(14-8)9-4-2-1-3-7(9)13/h1-5,16H,6H2
InChIKeyHUQBEPZZPQXWLK-UHFFFAOYSA-N
MW299.10 g/mol
LogP1.97
Rot. Bonds2

About 6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one

6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one (PubChem CID 82421640) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one
PubChem CID82421640
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one
SMILESO=c1cc(O)c(CBr)nn1-c1ccccc1F
InChIInChI=1S/C11H8BrFN2O2/c12-6-8-10(16)5-11(17)15(14-8)9-4-2-1-3-7(9)13/h1-5,16H,6H2
InChIKeyHUQBEPZZPQXWLK-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one?
The IUPAC name of 6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one (CID 82421640) is 6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one.
What is the SMILES notation for 6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one?
The canonical SMILES for 6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one is O=c1cc(O)c(CBr)nn1-c1ccccc1F.
What is the InChIKey of 6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one?
The InChIKey is HUQBEPZZPQXWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c12-6-8-10(16)5-11(17)15(14-8)9-4-2-1-3-7(9)13/h1-5,16H,6H2.
What are the key properties of 6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one?
6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one has a molecular weight of 299.10 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-(2-fluorophenyl)-5-hydroxypyridazin-3-one is sourced from PubChem (CID 82421640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).