2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one

C16H8Cl2N2O2 — CID 135421131

IUPAC2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3cc(Cl)c(Cl)cc23)=Nc2ccccc21
InChIInChI=1S/C16H8Cl2N2O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)14-15(21)7-3-1-2-4-11(7)19-14/h1-6,20,22H
InChIKeyOVYJVQMDQIHIRD-UHFFFAOYSA-N
MW331.16 g/mol
LogP4.50
Rot. Bonds1

About 2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one

2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one (PubChem CID 135421131) has the molecular formula C16H8Cl2N2O2 and a molecular weight of 331.16 g/mol. Its IUPAC name is 2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one.

Molecular Properties

Compound Name2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one
PubChem CID135421131
Molecular FormulaC16H8Cl2N2O2
Molecular Weight331.16 g/mol
Exact Mass330.00
IUPAC Name2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3cc(Cl)c(Cl)cc23)=Nc2ccccc21
InChIInChI=1S/C16H8Cl2N2O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)14-15(21)7-3-1-2-4-11(7)19-14/h1-6,20,22H
InChIKeyOVYJVQMDQIHIRD-UHFFFAOYSA-N
XLogP4.50
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The IUPAC name of 2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one (CID 135421131) is 2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one.
What is the SMILES notation for 2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The canonical SMILES for 2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one is O=C1C(c2c(O)[nH]c3cc(Cl)c(Cl)cc23)=Nc2ccccc21.
What is the InChIKey of 2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The InChIKey is OVYJVQMDQIHIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)14-15(21)7-3-1-2-4-11(7)19-14/h1-6,20,22H.
What are the key properties of 2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one has a molecular weight of 331.16 g/mol, XLogP of 4.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one is sourced from PubChem (CID 135421131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).