3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine

C13H9BrFN3O — CID 22562344

IUPAC3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine
SMILESCOc1ccc2c(Br)c(-c3cccc(F)c3)nn2n1
InChIInChI=1S/C13H9BrFN3O/c1-19-11-6-5-10-12(14)13(17-18(10)16-11)8-3-2-4-9(15)7-8/h2-7H,1H3
InChIKeyLENMXQOSBOKMNY-UHFFFAOYSA-N
MW322.14 g/mol
LogP3.31
Rot. Bonds2

About 3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine

3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine (PubChem CID 22562344) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine
PubChem CID22562344
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine
SMILESCOc1ccc2c(Br)c(-c3cccc(F)c3)nn2n1
InChIInChI=1S/C13H9BrFN3O/c1-19-11-6-5-10-12(14)13(17-18(10)16-11)8-3-2-4-9(15)7-8/h2-7H,1H3
InChIKeyLENMXQOSBOKMNY-UHFFFAOYSA-N
XLogP3.31
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine?
The IUPAC name of 3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine (CID 22562344) is 3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine?
The canonical SMILES for 3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine is COc1ccc2c(Br)c(-c3cccc(F)c3)nn2n1.
What is the InChIKey of 3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine?
The InChIKey is LENMXQOSBOKMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c1-19-11-6-5-10-12(14)13(17-18(10)16-11)8-3-2-4-9(15)7-8/h2-7H,1H3.
What are the key properties of 3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine?
3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine has a molecular weight of 322.14 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-fluorophenyl)-6-methoxypyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 22562344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).