5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine

C11H6BrFN4 — CID 78166509

IUPAC5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine
SMILESFc1ccc(-c2[nH]nc3nnc(Br)cc23)cc1
InChIInChI=1S/C11H6BrFN4/c12-9-5-8-10(15-17-11(8)16-14-9)6-1-3-7(13)4-2-6/h1-5H,(H,15,16,17)
InChIKeyDZPVOBWFYREFEV-UHFFFAOYSA-N
MW293.10 g/mol
LogP2.92
Rot. Bonds1

About 5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine

5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine (PubChem CID 78166509) has the molecular formula C11H6BrFN4 and a molecular weight of 293.10 g/mol. Its IUPAC name is 5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine
PubChem CID78166509
Molecular FormulaC11H6BrFN4
Molecular Weight293.10 g/mol
Exact Mass291.98
IUPAC Name5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine
SMILESFc1ccc(-c2[nH]nc3nnc(Br)cc23)cc1
InChIInChI=1S/C11H6BrFN4/c12-9-5-8-10(15-17-11(8)16-14-9)6-1-3-7(13)4-2-6/h1-5H,(H,15,16,17)
InChIKeyDZPVOBWFYREFEV-UHFFFAOYSA-N
XLogP2.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine?
The IUPAC name of 5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine (CID 78166509) is 5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine is Fc1ccc(-c2[nH]nc3nnc(Br)cc23)cc1.
What is the InChIKey of 5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine?
The InChIKey is DZPVOBWFYREFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN4/c12-9-5-8-10(15-17-11(8)16-14-9)6-1-3-7(13)4-2-6/h1-5H,(H,15,16,17).
What are the key properties of 5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine?
5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine has a molecular weight of 293.10 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-fluorophenyl)-2H-pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 78166509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).