2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one

C16H9ClN2O2 — CID 137179353

IUPAC2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one
SMILESO=C1C(c2c(O)c3ccccc3n2Cl)=Nc2ccccc21
InChIInChI=1S/C16H9ClN2O2/c17-19-12-8-4-2-6-10(12)16(21)14(19)13-15(20)9-5-1-3-7-11(9)18-13/h1-8,21H
InChIKeyXUVCYYPPMSIOGY-UHFFFAOYSA-N
MW296.71 g/mol
LogP3.67
Rot. Bonds1

About 2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one

2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one (PubChem CID 137179353) has the molecular formula C16H9ClN2O2 and a molecular weight of 296.71 g/mol. Its IUPAC name is 2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one.

Molecular Properties

Compound Name2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one
PubChem CID137179353
Molecular FormulaC16H9ClN2O2
Molecular Weight296.71 g/mol
Exact Mass296.04
IUPAC Name2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one
SMILESO=C1C(c2c(O)c3ccccc3n2Cl)=Nc2ccccc21
InChIInChI=1S/C16H9ClN2O2/c17-19-12-8-4-2-6-10(12)16(21)14(19)13-15(20)9-5-1-3-7-11(9)18-13/h1-8,21H
InChIKeyXUVCYYPPMSIOGY-UHFFFAOYSA-N
XLogP3.67
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Indigo
CID 10215
2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-
CID 10177
Indigo carmine
CID 2723854
FD&C blue 2
CID 135436515
3-Hydroxy-2-(3-hydroxy-2-quinolinyl)-1H-inden-1-one
CID 87299
C.I. Pigment Blue 63
CID 61842
Indirubin deriv. 5c
CID 135421127
6-Fluoroindirubin
CID 135421129
Indigotindisulfonic acid
CID 3705
1,3-Dihydro-1-acetyl-3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-2H-indol-2-one
CID 135512880
3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one
CID 124286
5'-Fluoro-[2,3'-biindolinylidene]-2',3-dione
CID 403163

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one?
The IUPAC name of 2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one (CID 137179353) is 2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one.
What is the SMILES notation for 2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one?
The canonical SMILES for 2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one is O=C1C(c2c(O)c3ccccc3n2Cl)=Nc2ccccc21.
What is the InChIKey of 2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one?
The InChIKey is XUVCYYPPMSIOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O2/c17-19-12-8-4-2-6-10(12)16(21)14(19)13-15(20)9-5-1-3-7-11(9)18-13/h1-8,21H.
What are the key properties of 2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one?
2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one has a molecular weight of 296.71 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-3-hydroxyindol-2-yl)indol-3-one is sourced from PubChem (CID 137179353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).