2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone

C10H6Br3NO — CID 135045023

IUPAC2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone
SMILESO=C(c1c[nH]c2cc(Br)ccc12)C(Br)Br
InChIInChI=1S/C10H6Br3NO/c11-5-1-2-6-7(9(15)10(12)13)4-14-8(6)3-5/h1-4,10,14H
InChIKeyOTXOXEYFANMIAV-UHFFFAOYSA-N
MW395.88 g/mol
LogP4.23
Rot. Bonds2

About 2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone

2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone (PubChem CID 135045023) has the molecular formula C10H6Br3NO and a molecular weight of 395.88 g/mol. Its IUPAC name is 2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone
PubChem CID135045023
Molecular FormulaC10H6Br3NO
Molecular Weight395.88 g/mol
Exact Mass392.80
IUPAC Name2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone
SMILESO=C(c1c[nH]c2cc(Br)ccc12)C(Br)Br
InChIInChI=1S/C10H6Br3NO/c11-5-1-2-6-7(9(15)10(12)13)4-14-8(6)3-5/h1-4,10,14H
InChIKeyOTXOXEYFANMIAV-UHFFFAOYSA-N
XLogP4.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.88
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-(6-bromo-1H-indol-3-yl)-4-oxobutanoic acid
CID 79786908
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 162765726
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
(6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone
CID 62046001
2-amino-1-(5-bromo-1H-indol-3-yl)butan-1-one
CID 162765729
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162463
(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
CID 107981685
(5-bromo-2-chlorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43378890
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237633

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone?
The IUPAC name of 2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone (CID 135045023) is 2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone?
The canonical SMILES for 2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone is O=C(c1c[nH]c2cc(Br)ccc12)C(Br)Br.
What is the InChIKey of 2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone?
The InChIKey is OTXOXEYFANMIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br3NO/c11-5-1-2-6-7(9(15)10(12)13)4-14-8(6)3-5/h1-4,10,14H.
What are the key properties of 2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone?
2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone has a molecular weight of 395.88 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone is sourced from PubChem (CID 135045023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).