1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone

C10H7BrINO — CID 135396326

IUPAC1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone
SMILESCC(=O)c1cc2cc(I)c(Br)cc2[nH]1
InChIInChI=1S/C10H7BrINO/c1-5(14)9-3-6-2-8(12)7(11)4-10(6)13-9/h2-4,13H,1H3
InChIKeyOMZQKYOLWZQNOM-UHFFFAOYSA-N
MW363.98 g/mol
LogP3.74
Rot. Bonds1

About 1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone

1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone (PubChem CID 135396326) has the molecular formula C10H7BrINO and a molecular weight of 363.98 g/mol. Its IUPAC name is 1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone
PubChem CID135396326
Molecular FormulaC10H7BrINO
Molecular Weight363.98 g/mol
Exact Mass362.88
IUPAC Name1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone
SMILESCC(=O)c1cc2cc(I)c(Br)cc2[nH]1
InChIInChI=1S/C10H7BrINO/c1-5(14)9-3-6-2-8(12)7(11)4-10(6)13-9/h2-4,13H,1H3
InChIKeyOMZQKYOLWZQNOM-UHFFFAOYSA-N
XLogP3.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.98
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-bromo-5-iodo-1H-indole-2-carboxylate
CID 135394278
propan-2-yl 6-bromo-5-iodo-1H-indole-2-carboxylate
CID 135395077
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
6-chloro-5-iodo-1H-indole-2-carboxamide
CID 135396268
methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate
CID 16726758
ethyl 5-iodo-6-methoxy-1H-indole-2-carboxylate
CID 118029444
N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide
CID 90083485
1-[6-bromo-5-(2,2-difluoroethoxy)-1H-indol-2-yl]-2-methylprop-2-en-1-one
CID 146577680
5-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338224
1-(4-iodo-5-nitro-1H-pyrrol-2-yl)ethanone
CID 101448626
5-hydroxy-6-methyl-1H-indole-2-carboxylic acid
CID 83817997
6-bromo-5-iodo-1H-indole-3-carboxylic acid
CID 126970262

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone?
The IUPAC name of 1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone (CID 135396326) is 1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone.
What is the SMILES notation for 1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone?
The canonical SMILES for 1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone is CC(=O)c1cc2cc(I)c(Br)cc2[nH]1.
What is the InChIKey of 1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone?
The InChIKey is OMZQKYOLWZQNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrINO/c1-5(14)9-3-6-2-8(12)7(11)4-10(6)13-9/h2-4,13H,1H3.
What are the key properties of 1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone?
1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone has a molecular weight of 363.98 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-5-iodo-1H-indol-2-yl)ethanone is sourced from PubChem (CID 135396326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).