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

C18H10Cl2FN5O2 — CID 155530387

IUPAC5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(/N=N/c2c(O)n(-c3ccc(F)cc3)c3ccc(Cl)cc23)c1Cl
InChIInChI=1S/C18H10Cl2FN5O2/c19-9-1-6-14-12(7-9)16(24-23-13-8-22-25-17(27)15(13)20)18(28)26(14)11-4-2-10(21)3-5-11/h1-8,28H,(H,25,27)/b24-23+
InChIKeyYKDHTTXFNQSSAV-WCWDXBQESA-N
MW418.22 g/mol
LogP5.28
Rot. Bonds3

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

5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one (PubChem CID 155530387) has the molecular formula C18H10Cl2FN5O2 and a molecular weight of 418.22 g/mol. Its IUPAC name is 5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
PubChem CID155530387
Molecular FormulaC18H10Cl2FN5O2
Molecular Weight418.22 g/mol
Exact Mass417.02
IUPAC Name5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(/N=N/c2c(O)n(-c3ccc(F)cc3)c3ccc(Cl)cc23)c1Cl
InChIInChI=1S/C18H10Cl2FN5O2/c19-9-1-6-14-12(7-9)16(24-23-13-8-22-25-17(27)15(13)20)18(28)26(14)11-4-2-10(21)3-5-11/h1-8,28H,(H,25,27)/b24-23+
InChIKeyYKDHTTXFNQSSAV-WCWDXBQESA-N
XLogP5.28
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.22
LogP ≤ 55.28
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-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one (CID 155530387) is 5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one is O=c1[nH]ncc(/N=N/c2c(O)n(-c3ccc(F)cc3)c3ccc(Cl)cc23)c1Cl.
What is the InChIKey of 5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
The InChIKey is YKDHTTXFNQSSAV-WCWDXBQESA-N. The full InChI is InChI=1S/C18H10Cl2FN5O2/c19-9-1-6-14-12(7-9)16(24-23-13-8-22-25-17(27)15(13)20)18(28)26(14)11-4-2-10(21)3-5-11/h1-8,28H,(H,25,27)/b24-23+.
What are the key properties of 5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one has a molecular weight of 418.22 g/mol, XLogP of 5.28, 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-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 155530387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).