5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one

C18H10Cl3N5O2 — CID 155547900

IUPAC5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(/N=N/c2c(O)n(-c3ccc(Cl)cc3)c3ccc(Cl)cc23)c1Cl
InChIInChI=1S/C18H10Cl3N5O2/c19-9-1-4-11(5-2-9)26-14-6-3-10(20)7-12(14)16(18(26)28)24-23-13-8-22-25-17(27)15(13)21/h1-8,28H,(H,25,27)/b24-23+
InChIKeyGDTUDLYAFLZIBO-WCWDXBQESA-N
MW434.67 g/mol
LogP5.80
Rot. Bonds3

About 5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one

5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one (PubChem CID 155547900) has the molecular formula C18H10Cl3N5O2 and a molecular weight of 434.67 g/mol. Its IUPAC name is 5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
PubChem CID155547900
Molecular FormulaC18H10Cl3N5O2
Molecular Weight434.67 g/mol
Exact Mass432.99
IUPAC Name5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(/N=N/c2c(O)n(-c3ccc(Cl)cc3)c3ccc(Cl)cc23)c1Cl
InChIInChI=1S/C18H10Cl3N5O2/c19-9-1-4-11(5-2-9)26-14-6-3-10(20)7-12(14)16(18(26)28)24-23-13-8-22-25-17(27)15(13)21/h1-8,28H,(H,25,27)/b24-23+
InChIKeyGDTUDLYAFLZIBO-WCWDXBQESA-N
XLogP5.80
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.67
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one (CID 155547900) is 5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one is O=c1[nH]ncc(/N=N/c2c(O)n(-c3ccc(Cl)cc3)c3ccc(Cl)cc23)c1Cl.
What is the InChIKey of 5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
The InChIKey is GDTUDLYAFLZIBO-WCWDXBQESA-N. The full InChI is InChI=1S/C18H10Cl3N5O2/c19-9-1-4-11(5-2-9)26-14-6-3-10(20)7-12(14)16(18(26)28)24-23-13-8-22-25-17(27)15(13)21/h1-8,28H,(H,25,27)/b24-23+.
What are the key properties of 5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one has a molecular weight of 434.67 g/mol, XLogP of 5.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 155547900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).