6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol

C16H11BrN2O2 — CID 101086834

IUPAC6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol
SMILES[2H]c1ccc2c(O)c(-c3[nH]c4cc(Br)ccc4c3O)[nH]c2c1
InChIInChI=1S/C16H11BrN2O2/c17-8-5-6-10-12(7-8)19-14(16(10)21)13-15(20)9-3-1-2-4-11(9)18-13/h1-7,18-21H/i2D
InChIKeyREPWJYIKZRPIFS-VMNATFBRSA-N
MW344.19 g/mol
LogP4.49
Rot. Bonds1

About 6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol

6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol (PubChem CID 101086834) has the molecular formula C16H11BrN2O2 and a molecular weight of 344.19 g/mol. Its IUPAC name is 6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol.

Molecular Properties

Compound Name6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol
PubChem CID101086834
Molecular FormulaC16H11BrN2O2
Molecular Weight344.19 g/mol
Exact Mass343.01
IUPAC Name6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol
SMILES[2H]c1ccc2c(O)c(-c3[nH]c4cc(Br)ccc4c3O)[nH]c2c1
InChIInChI=1S/C16H11BrN2O2/c17-8-5-6-10-12(7-8)19-14(16(10)21)13-15(20)9-3-1-2-4-11(9)18-13/h1-7,18-21H/i2D
InChIKeyREPWJYIKZRPIFS-VMNATFBRSA-N
XLogP4.49
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

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9H-carbazole;3,6-dibromo-9H-carbazole
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methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate
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7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione
CID 89336176
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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol?
The IUPAC name of 6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol (CID 101086834) is 6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol.
What is the SMILES notation for 6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol?
The canonical SMILES for 6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol is [2H]c1ccc2c(O)c(-c3[nH]c4cc(Br)ccc4c3O)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol?
The InChIKey is REPWJYIKZRPIFS-VMNATFBRSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-8-5-6-10-12(7-8)19-14(16(10)21)13-15(20)9-3-1-2-4-11(9)18-13/h1-7,18-21H/i2D.
What are the key properties of 6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol?
6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol has a molecular weight of 344.19 g/mol, XLogP of 4.49, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(6-deuterio-3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol is sourced from PubChem (CID 101086834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).