5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol

C12H7Cl2N5O — CID 135983033

IUPAC5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Cl)cc2c1/N=N/c1ccc(Cl)nn1
InChIInChI=1S/C12H7Cl2N5O/c13-6-1-2-8-7(5-6)11(12(20)15-8)19-18-10-4-3-9(14)16-17-10/h1-5,15,20H/b19-18+
InChIKeyZXFIGTKFUFSDGD-VHEBQXMUSA-N
MW308.13 g/mol
LogP4.39
Rot. Bonds2

About 5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol

5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol (PubChem CID 135983033) has the molecular formula C12H7Cl2N5O and a molecular weight of 308.13 g/mol. Its IUPAC name is 5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol
PubChem CID135983033
Molecular FormulaC12H7Cl2N5O
Molecular Weight308.13 g/mol
Exact Mass307.00
IUPAC Name5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Cl)cc2c1/N=N/c1ccc(Cl)nn1
InChIInChI=1S/C12H7Cl2N5O/c13-6-1-2-8-7(5-6)11(12(20)15-8)19-18-10-4-3-9(14)16-17-10/h1-5,15,20H/b19-18+
InChIKeyZXFIGTKFUFSDGD-VHEBQXMUSA-N
XLogP4.39
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 54.39
H-Bond Donors ≤ 52
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-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol (CID 135983033) is 5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol is Oc1[nH]c2ccc(Cl)cc2c1/N=N/c1ccc(Cl)nn1.
What is the InChIKey of 5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol?
The InChIKey is ZXFIGTKFUFSDGD-VHEBQXMUSA-N. The full InChI is InChI=1S/C12H7Cl2N5O/c13-6-1-2-8-7(5-6)11(12(20)15-8)19-18-10-4-3-9(14)16-17-10/h1-5,15,20H/b19-18+.
What are the key properties of 5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol?
5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol has a molecular weight of 308.13 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 135983033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).