2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione

C10H6BrFN2O2 — CID 609471

IUPAC2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(-c2ccc(F)cc2Br)[nH]1
InChIInChI=1S/C10H6BrFN2O2/c11-7-5-6(12)1-2-8(7)14-10(16)4-3-9(15)13-14/h1-5H,(H,13,15)
InChIKeySWXNIBQKLWVGRZ-UHFFFAOYSA-N
MW285.07 g/mol
LogP1.43
Rot. Bonds1

About 2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione

2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione (PubChem CID 609471) has the molecular formula C10H6BrFN2O2 and a molecular weight of 285.07 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione
PubChem CID609471
Molecular FormulaC10H6BrFN2O2
Molecular Weight285.07 g/mol
Exact Mass283.96
IUPAC Name2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(-c2ccc(F)cc2Br)[nH]1
InChIInChI=1S/C10H6BrFN2O2/c11-7-5-6(12)1-2-8(7)14-10(16)4-3-9(15)13-14/h1-5H,(H,13,15)
InChIKeySWXNIBQKLWVGRZ-UHFFFAOYSA-N
XLogP1.43
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione (CID 609471) is 2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(-c2ccc(F)cc2Br)[nH]1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione?
The InChIKey is SWXNIBQKLWVGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2/c11-7-5-6(12)1-2-8(7)14-10(16)4-3-9(15)13-14/h1-5H,(H,13,15).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione?
2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione has a molecular weight of 285.07 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 609471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).