5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one

C11H5BrClFN4O — CID 171782051

IUPAC5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESO=c1cc2[nH]nc(Cl)c2nn1-c1c(F)cccc1Br
InChIInChI=1S/C11H5BrClFN4O/c12-5-2-1-3-6(14)10(5)18-8(19)4-7-9(17-18)11(13)16-15-7/h1-4,15H
InChIKeyYTSTUPOAJFCSRN-UHFFFAOYSA-N
MW343.54 g/mol
LogP2.66
Rot. Bonds1

About 5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one

5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 171782051) has the molecular formula C11H5BrClFN4O and a molecular weight of 343.54 g/mol. Its IUPAC name is 5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID171782051
Molecular FormulaC11H5BrClFN4O
Molecular Weight343.54 g/mol
Exact Mass341.93
IUPAC Name5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESO=c1cc2[nH]nc(Cl)c2nn1-c1c(F)cccc1Br
InChIInChI=1S/C11H5BrClFN4O/c12-5-2-1-3-6(14)10(5)18-8(19)4-7-9(17-18)11(13)16-15-7/h1-4,15H
InChIKeyYTSTUPOAJFCSRN-UHFFFAOYSA-N
XLogP2.66
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360999
5-(2-Bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
CID 171782031
5-(2-Bromo-6-fluorophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridazin-6-one
CID 171782048
1-(2-Bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide
CID 171782063
N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600319
N-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103754899
N-(2-bromo-6-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103825912
N-(2-bromo-4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040835

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 171782051) is 5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one is O=c1cc2[nH]nc(Cl)c2nn1-c1c(F)cccc1Br.
What is the InChIKey of 5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is YTSTUPOAJFCSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFN4O/c12-5-2-1-3-6(14)10(5)18-8(19)4-7-9(17-18)11(13)16-15-7/h1-4,15H.
What are the key properties of 5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 343.54 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-6-fluorophenyl)-3-chloro-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 171782051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).