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

C11H6ClFN4O — CID 163360999

IUPAC3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESO=c1cc2[nH]nc(Cl)c2nn1-c1ccccc1F
InChIInChI=1S/C11H6ClFN4O/c12-11-10-7(14-15-11)5-9(18)17(16-10)8-4-2-1-3-6(8)13/h1-5,14H
InChIKeyMYOUUYGPTQTONP-UHFFFAOYSA-N
MW264.65 g/mol
LogP1.90
Rot. Bonds1

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

3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 163360999) has the molecular formula C11H6ClFN4O and a molecular weight of 264.65 g/mol. Its IUPAC name is 3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID163360999
Molecular FormulaC11H6ClFN4O
Molecular Weight264.65 g/mol
Exact Mass264.02
IUPAC Name3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESO=c1cc2[nH]nc(Cl)c2nn1-c1ccccc1F
InChIInChI=1S/C11H6ClFN4O/c12-11-10-7(14-15-11)5-9(18)17(16-10)8-4-2-1-3-6(8)13/h1-5,14H
InChIKeyMYOUUYGPTQTONP-UHFFFAOYSA-N
XLogP1.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.65
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 163360999) is 3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is O=c1cc2[nH]nc(Cl)c2nn1-c1ccccc1F.
What is the InChIKey of 3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is MYOUUYGPTQTONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4O/c12-11-10-7(14-15-11)5-9(18)17(16-10)8-4-2-1-3-6(8)13/h1-5,14H.
What are the key properties of 3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 264.65 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 163360999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).