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

C12H7Cl2N5O2 — CID 155556868

IUPAC5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(/N=N/c2c(O)[nH]c3ccc(Cl)cc23)c1Cl
InChIInChI=1S/C12H7Cl2N5O2/c13-5-1-2-7-6(3-5)10(12(21)16-7)18-17-8-4-15-19-11(20)9(8)14/h1-4,16,21H,(H,19,20)/b18-17+
InChIKeyNFRGTVXATWWTHB-ISLYRVAYSA-N
MW324.13 g/mol
LogP3.68
Rot. Bonds2

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

5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one (PubChem CID 155556868) has the molecular formula C12H7Cl2N5O2 and a molecular weight of 324.13 g/mol. Its IUPAC name is 5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one
PubChem CID155556868
Molecular FormulaC12H7Cl2N5O2
Molecular Weight324.13 g/mol
Exact Mass323.00
IUPAC Name5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(/N=N/c2c(O)[nH]c3ccc(Cl)cc23)c1Cl
InChIInChI=1S/C12H7Cl2N5O2/c13-5-1-2-7-6(3-5)10(12(21)16-7)18-17-8-4-15-19-11(20)9(8)14/h1-4,16,21H,(H,19,20)/b18-17+
InChIKeyNFRGTVXATWWTHB-ISLYRVAYSA-N
XLogP3.68
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one (CID 155556868) is 5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one is O=c1[nH]ncc(/N=N/c2c(O)[nH]c3ccc(Cl)cc23)c1Cl.
What is the InChIKey of 5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one?
The InChIKey is NFRGTVXATWWTHB-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H7Cl2N5O2/c13-5-1-2-7-6(3-5)10(12(21)16-7)18-17-8-4-15-19-11(20)9(8)14/h1-4,16,21H,(H,19,20)/b18-17+.
What are the key properties of 5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one?
5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one has a molecular weight of 324.13 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(5-chloro-2-hydroxy-1H-indol-3-yl)diazenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 155556868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).