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

C18H11Cl2N5O2 — CID 155530917

IUPAC5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(/N=N/c2c(O)n(-c3ccc(Cl)cc3)c3ccccc23)c1Cl
InChIInChI=1S/C18H11Cl2N5O2/c19-10-5-7-11(8-6-10)25-14-4-2-1-3-12(14)16(18(25)27)23-22-13-9-21-24-17(26)15(13)20/h1-9,27H,(H,24,26)/b23-22+
InChIKeyBPWKOSXCDREVIL-GHVJWSGMSA-N
MW400.23 g/mol
LogP5.14
Rot. Bonds3

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

5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one (PubChem CID 155530917) has the molecular formula C18H11Cl2N5O2 and a molecular weight of 400.23 g/mol. Its IUPAC name is 5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
PubChem CID155530917
Molecular FormulaC18H11Cl2N5O2
Molecular Weight400.23 g/mol
Exact Mass399.03
IUPAC Name5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(/N=N/c2c(O)n(-c3ccc(Cl)cc3)c3ccccc23)c1Cl
InChIInChI=1S/C18H11Cl2N5O2/c19-10-5-7-11(8-6-10)25-14-4-2-1-3-12(14)16(18(25)27)23-22-13-9-21-24-17(26)15(13)20/h1-9,27H,(H,24,26)/b23-22+
InChIKeyBPWKOSXCDREVIL-GHVJWSGMSA-N
XLogP5.14
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.23
LogP ≤ 55.14
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-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one (CID 155530917) is 5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[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)c3ccccc23)c1Cl.
What is the InChIKey of 5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
The InChIKey is BPWKOSXCDREVIL-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H11Cl2N5O2/c19-10-5-7-11(8-6-10)25-14-4-2-1-3-12(14)16(18(25)27)23-22-13-9-21-24-17(26)15(13)20/h1-9,27H,(H,24,26)/b23-22+.
What are the key properties of 5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one?
5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one has a molecular weight of 400.23 g/mol, XLogP of 5.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(4-chlorophenyl)-2-hydroxyindol-3-yl]diazenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 155530917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).