5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

C11H6BrFN4O2 — CID 171782031

IUPAC5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESO=c1[nH][nH]c2cc(=O)n(-c3c(F)cccc3Br)nc12
InChIInChI=1S/C11H6BrFN4O2/c12-5-2-1-3-6(13)10(5)17-8(18)4-7-9(16-17)11(19)15-14-7/h1-4,14H,(H,15,19)
InChIKeyPOCSXZFBDHEUQN-UHFFFAOYSA-N
MW325.10 g/mol
LogP1.30
Rot. Bonds1

About 5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (PubChem CID 171782031) has the molecular formula C11H6BrFN4O2 and a molecular weight of 325.10 g/mol. Its IUPAC name is 5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.

Molecular Properties

Compound Name5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
PubChem CID171782031
Molecular FormulaC11H6BrFN4O2
Molecular Weight325.10 g/mol
Exact Mass323.97
IUPAC Name5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESO=c1[nH][nH]c2cc(=O)n(-c3c(F)cccc3Br)nc12
InChIInChI=1S/C11H6BrFN4O2/c12-5-2-1-3-6(13)10(5)17-8(18)4-7-9(16-17)11(19)15-14-7/h1-4,14H,(H,15,19)
InChIKeyPOCSXZFBDHEUQN-UHFFFAOYSA-N
XLogP1.30
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.10
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The IUPAC name of 5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (CID 171782031) is 5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.
What is the SMILES notation for 5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The canonical SMILES for 5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is O=c1[nH][nH]c2cc(=O)n(-c3c(F)cccc3Br)nc12.
What is the InChIKey of 5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The InChIKey is POCSXZFBDHEUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN4O2/c12-5-2-1-3-6(13)10(5)17-8(18)4-7-9(16-17)11(19)15-14-7/h1-4,14H,(H,15,19).
What are the key properties of 5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione has a molecular weight of 325.10 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is sourced from PubChem (CID 171782031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).