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

C16H8Br2N2O2 — CID 145149607

IUPAC7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one
SMILESO=C1C(c2[nH]c3c(Br)cccc3c2O)=Nc2c(Br)cccc21
InChIInChI=1S/C16H8Br2N2O2/c17-9-5-1-3-7-11(9)19-13(15(7)21)14-16(22)8-4-2-6-10(18)12(8)20-14/h1-6,19,21H
InChIKeyUFOKDHAUCAVQJE-UHFFFAOYSA-N
MW420.06 g/mol
LogP4.72
Rot. Bonds1

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

7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one (PubChem CID 145149607) has the molecular formula C16H8Br2N2O2 and a molecular weight of 420.06 g/mol. Its IUPAC name is 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one.

Molecular Properties

Compound Name7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one
PubChem CID145149607
Molecular FormulaC16H8Br2N2O2
Molecular Weight420.06 g/mol
Exact Mass417.90
IUPAC Name7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one
SMILESO=C1C(c2[nH]c3c(Br)cccc3c2O)=Nc2c(Br)cccc21
InChIInChI=1S/C16H8Br2N2O2/c17-9-5-1-3-7-11(9)19-13(15(7)21)14-16(22)8-4-2-6-10(18)12(8)20-14/h1-6,19,21H
InChIKeyUFOKDHAUCAVQJE-UHFFFAOYSA-N
XLogP4.72
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.06
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-hydroxy-1H-indol-2-yl)indol-3-one
CID 10215
8-bromo-4-oxo-3H-quinoline-2-carboxylic acid
CID 125379609
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one
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CID 135581724
5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one
CID 162082433
8-bromo-4-phenyl-1H-quinolin-2-one
CID 43322930
8-bromo-2,3-dimethyl-1H-quinolin-4-one
CID 60995686
4-(7-bromo-2-methyl-1H-indol-3-yl)butan-2-one
CID 82502192
8-bromo-3-phenyl-1H-quinazoline-2,4-dione
CID 117261927

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one?
The IUPAC name of 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one (CID 145149607) is 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one.
What is the SMILES notation for 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one?
The canonical SMILES for 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one is O=C1C(c2[nH]c3c(Br)cccc3c2O)=Nc2c(Br)cccc21.
What is the InChIKey of 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one?
The InChIKey is UFOKDHAUCAVQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Br2N2O2/c17-9-5-1-3-7-11(9)19-13(15(7)21)14-16(22)8-4-2-6-10(18)12(8)20-14/h1-6,19,21H.
What are the key properties of 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one?
7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one has a molecular weight of 420.06 g/mol, XLogP of 4.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one is sourced from PubChem (CID 145149607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).