2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one

C16H9ClN2O2 — CID 135423851

IUPAC2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3c(Cl)cccc23)=Nc2ccccc21
InChIInChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
InChIKeyNWTPNTSXENAZQO-UHFFFAOYSA-N
MW296.71 g/mol
LogP3.84
Rot. Bonds1

About 2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one

2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one (PubChem CID 135423851) has the molecular formula C16H9ClN2O2 and a molecular weight of 296.71 g/mol. Its IUPAC name is 2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one.

Molecular Properties

Compound Name2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one
PubChem CID135423851
Molecular FormulaC16H9ClN2O2
Molecular Weight296.71 g/mol
Exact Mass296.04
IUPAC Name2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3c(Cl)cccc23)=Nc2ccccc21
InChIInChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H
InChIKeyNWTPNTSXENAZQO-UHFFFAOYSA-N
XLogP3.84
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)indol-3-one
CID 135911864
5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 135779805
2-(3-hydroxy-1H-indol-2-yl)indol-3-one
CID 10215
2-(3-oxoindol-2-yl)indol-3-one
CID 11858820
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one
CID 3843472
2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one
CID 1334022
2-(3-bromophenyl)indol-3-one
CID 2336615
N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide
CID 135469095
2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one
CID 168852584
2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one
CID 135873261
6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione
CID 19030664
[2-hydroxy-3-(3-oxoindol-2-yl)indol-1-yl]methyl methanesulfonate
CID 170080970

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The IUPAC name of 2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one (CID 135423851) is 2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one.
What is the SMILES notation for 2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The canonical SMILES for 2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one is O=C1C(c2c(O)[nH]c3c(Cl)cccc23)=Nc2ccccc21.
What is the InChIKey of 2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The InChIKey is NWTPNTSXENAZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,19,21H.
What are the key properties of 2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one has a molecular weight of 296.71 g/mol, XLogP of 3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one is sourced from PubChem (CID 135423851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).