2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone

C10H7Br2NO — CID 115351482

IUPAC2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
SMILESO=C(CBr)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C10H7Br2NO/c11-4-9(14)6-5-13-8-3-1-2-7(12)10(6)8/h1-3,5,13H,4H2
InChIKeySGRCNQIGPKBZQG-UHFFFAOYSA-N
MW316.98 g/mol
LogP3.51
Rot. Bonds2

About 2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone

2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone (PubChem CID 115351482) has the molecular formula C10H7Br2NO and a molecular weight of 316.98 g/mol. Its IUPAC name is 2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
PubChem CID115351482
Molecular FormulaC10H7Br2NO
Molecular Weight316.98 g/mol
Exact Mass314.89
IUPAC Name2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
SMILESO=C(CBr)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C10H7Br2NO/c11-4-9(14)6-5-13-8-3-1-2-7(12)10(6)8/h1-3,5,13H,4H2
InChIKeySGRCNQIGPKBZQG-UHFFFAOYSA-N
XLogP3.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.98
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone
CID 115351551
2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
CID 115351483
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-(4-bromo-1H-indole-3-carbonyl)benzoic acid
CID 115351658
(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 113292183
(3E)-4-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028255
(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
CID 115351639
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115352092
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115549855
3-(4-bromo-1H-indol-3-yl)propanoic acid
CID 28806342
(4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115351549

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone?
The IUPAC name of 2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone (CID 115351482) is 2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone is O=C(CBr)c1c[nH]c2cccc(Br)c12.
What is the InChIKey of 2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone?
The InChIKey is SGRCNQIGPKBZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO/c11-4-9(14)6-5-13-8-3-1-2-7(12)10(6)8/h1-3,5,13H,4H2.
What are the key properties of 2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone?
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone has a molecular weight of 316.98 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone is sourced from PubChem (CID 115351482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).