5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one

C16H7BrCl2N2O2 — CID 135779805

IUPAC5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3c(Cl)cc(Cl)cc23)=Nc2ccc(Br)cc21
InChIInChI=1S/C16H7BrCl2N2O2/c17-6-1-2-11-8(3-6)15(22)14(20-11)12-9-4-7(18)5-10(19)13(9)21-16(12)23/h1-5,21,23H
InChIKeyXVDMTCZPOCRBET-UHFFFAOYSA-N
MW410.05 g/mol
LogP5.26
Rot. Bonds1

About 5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one

5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one (PubChem CID 135779805) has the molecular formula C16H7BrCl2N2O2 and a molecular weight of 410.05 g/mol. Its IUPAC name is 5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one.

Molecular Properties

Compound Name5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one
PubChem CID135779805
Molecular FormulaC16H7BrCl2N2O2
Molecular Weight410.05 g/mol
Exact Mass407.91
IUPAC Name5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3c(Cl)cc(Cl)cc23)=Nc2ccc(Br)cc21
InChIInChI=1S/C16H7BrCl2N2O2/c17-6-1-2-11-8(3-6)15(22)14(20-11)12-9-4-7(18)5-10(19)13(9)21-16(12)23/h1-5,21,23H
InChIKeyXVDMTCZPOCRBET-UHFFFAOYSA-N
XLogP5.26
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.05
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-hydroxy-1H-indol-3-yl)-5-bromoindol-3-one
CID 135971466
2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 135423851
3-[(3E)-5-bromo-3-(2-pyrrolidin-1-ium-1-ylethoxyimino)indol-2-yl]-5,7-dichloro-1H-indol-2-ol chloride
CID 135779818
2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one
CID 135873261
5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 135873274
5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one
CID 162082433
4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 139562410
7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one
CID 165048647
2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)indol-3-one
CID 135911864
5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid
CID 94830117
5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one
CID 75169547
2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole
CID 102230394

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The IUPAC name of 5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one (CID 135779805) is 5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one.
What is the SMILES notation for 5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The canonical SMILES for 5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one is O=C1C(c2c(O)[nH]c3c(Cl)cc(Cl)cc23)=Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
The InChIKey is XVDMTCZPOCRBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7BrCl2N2O2/c17-6-1-2-11-8(3-6)15(22)14(20-11)12-9-4-7(18)5-10(19)13(9)21-16(12)23/h1-5,21,23H.
What are the key properties of 5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one?
5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one has a molecular weight of 410.05 g/mol, XLogP of 5.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one is sourced from PubChem (CID 135779805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).