5,6-diiodo-2-phenylpyridazin-3-one

C10H6I2N2O — CID 89243165

IUPAC5,6-diiodo-2-phenylpyridazin-3-one
SMILESO=c1cc(I)c(I)nn1-c1ccccc1
InChIInChI=1S/C10H6I2N2O/c11-8-6-9(15)14(13-10(8)12)7-4-2-1-3-5-7/h1-6H
InChIKeyFMZQIQDXSMHUES-UHFFFAOYSA-N
MW423.98 g/mol
LogP2.44
Rot. Bonds1

About 5,6-diiodo-2-phenylpyridazin-3-one

5,6-diiodo-2-phenylpyridazin-3-one (PubChem CID 89243165) has the molecular formula C10H6I2N2O and a molecular weight of 423.98 g/mol. Its IUPAC name is 5,6-diiodo-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5,6-diiodo-2-phenylpyridazin-3-one
PubChem CID89243165
Molecular FormulaC10H6I2N2O
Molecular Weight423.98 g/mol
Exact Mass423.86
IUPAC Name5,6-diiodo-2-phenylpyridazin-3-one
SMILESO=c1cc(I)c(I)nn1-c1ccccc1
InChIInChI=1S/C10H6I2N2O/c11-8-6-9(15)14(13-10(8)12)7-4-2-1-3-5-7/h1-6H
InChIKeyFMZQIQDXSMHUES-UHFFFAOYSA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.98
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diiodo-2-phenylpyridazin-3-one?
The IUPAC name of 5,6-diiodo-2-phenylpyridazin-3-one (CID 89243165) is 5,6-diiodo-2-phenylpyridazin-3-one.
What is the SMILES notation for 5,6-diiodo-2-phenylpyridazin-3-one?
The canonical SMILES for 5,6-diiodo-2-phenylpyridazin-3-one is O=c1cc(I)c(I)nn1-c1ccccc1.
What is the InChIKey of 5,6-diiodo-2-phenylpyridazin-3-one?
The InChIKey is FMZQIQDXSMHUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6I2N2O/c11-8-6-9(15)14(13-10(8)12)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5,6-diiodo-2-phenylpyridazin-3-one?
5,6-diiodo-2-phenylpyridazin-3-one has a molecular weight of 423.98 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diiodo-2-phenylpyridazin-3-one is sourced from PubChem (CID 89243165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).