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

C18H10BrCl2N5O2 — CID 155514329

IUPAC4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(/N=N/c2c(O)n(-c3ccc(Cl)cc3)c3ccc(Br)cc23)c1Cl
InChIInChI=1S/C18H10BrCl2N5O2/c19-9-1-6-14-12(7-9)16(24-23-13-8-22-25-17(27)15(13)21)18(28)26(14)11-4-2-10(20)3-5-11/h1-8,28H,(H,25,27)/b24-23+
InChIKeyUXLLLEVXVVFEGG-WCWDXBQESA-N
MW479.12 g/mol
LogP5.90
Rot. Bonds3

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

4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one (PubChem CID 155514329) has the molecular formula C18H10BrCl2N5O2 and a molecular weight of 479.12 g/mol. Its IUPAC name is 4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one
PubChem CID155514329
Molecular FormulaC18H10BrCl2N5O2
Molecular Weight479.12 g/mol
Exact Mass476.94
IUPAC Name4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(/N=N/c2c(O)n(-c3ccc(Cl)cc3)c3ccc(Br)cc23)c1Cl
InChIInChI=1S/C18H10BrCl2N5O2/c19-9-1-6-14-12(7-9)16(24-23-13-8-22-25-17(27)15(13)21)18(28)26(14)11-4-2-10(20)3-5-11/h1-8,28H,(H,25,27)/b24-23+
InChIKeyUXLLLEVXVVFEGG-WCWDXBQESA-N
XLogP5.90
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.12
LogP ≤ 55.90
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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Related Compounds

(Z)-N-[(Z)-(5-bromo-2-oxo-indolin-3-ylidene)amino]-4-(4-chlorophenyl)-2-hydroxy-4-oxo-but-2-enamide
CID 135426685
1-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-[(E)-(2,6-dichlorophenyl)methylideneamino]thiourea
CID 137653434
1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone
CID 1098398
5-bromo-3-[(4-chlorophenyl)diazenyl]-1H-indol-2-ol
CID 135824361
5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one
CID 155523240
5-chloro-4-[[5-chloro-1-(4-fluorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
CID 155530387
5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
CID 155530917
5-chloro-4-[[5-chloro-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
CID 155547900
4-[(5-bromo-2-hydroxy-1-phenylindol-3-yl)diazenyl]-5-chloro-1H-pyridazin-6-one
CID 155551056
5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one
CID 155556868
1-[5-Bromo-1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-3-(4-chlorophenyl)thiourea
CID 136240136
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide
CID 397987

Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one (CID 155514329) is 4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one is O=c1[nH]ncc(/N=N/c2c(O)n(-c3ccc(Cl)cc3)c3ccc(Br)cc23)c1Cl.
What is the InChIKey of 4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one?
The InChIKey is UXLLLEVXVVFEGG-WCWDXBQESA-N. The full InChI is InChI=1S/C18H10BrCl2N5O2/c19-9-1-6-14-12(7-9)16(24-23-13-8-22-25-17(27)15(13)21)18(28)26(14)11-4-2-10(20)3-5-11/h1-8,28H,(H,25,27)/b24-23+.
What are the key properties of 4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one?
4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one has a molecular weight of 479.12 g/mol, XLogP of 5.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 155514329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).