1-(3-bromo-1H-indol-6-yl)ethanone

C10H8BrNO — CID 83897897

IUPAC1-(3-bromo-1H-indol-6-yl)ethanone
SMILESCC(=O)c1ccc2c(Br)c[nH]c2c1
InChIInChI=1S/C10H8BrNO/c1-6(13)7-2-3-8-9(11)5-12-10(8)4-7/h2-5,12H,1H3
InChIKeyBXRPTNHTYBQOND-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.13
Rot. Bonds1

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

1-(3-bromo-1H-indol-6-yl)ethanone (PubChem CID 83897897) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 1-(3-bromo-1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-1H-indol-6-yl)ethanone
PubChem CID83897897
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name1-(3-bromo-1H-indol-6-yl)ethanone
SMILESCC(=O)c1ccc2c(Br)c[nH]c2c1
InChIInChI=1S/C10H8BrNO/c1-6(13)7-2-3-8-9(11)5-12-10(8)4-7/h2-5,12H,1H3
InChIKeyBXRPTNHTYBQOND-UHFFFAOYSA-N
XLogP3.13
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1H-indol-6-yl)ethanone?
The IUPAC name of 1-(3-bromo-1H-indol-6-yl)ethanone (CID 83897897) is 1-(3-bromo-1H-indol-6-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-1H-indol-6-yl)ethanone?
The canonical SMILES for 1-(3-bromo-1H-indol-6-yl)ethanone is CC(=O)c1ccc2c(Br)c[nH]c2c1.
What is the InChIKey of 1-(3-bromo-1H-indol-6-yl)ethanone?
The InChIKey is BXRPTNHTYBQOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-6(13)7-2-3-8-9(11)5-12-10(8)4-7/h2-5,12H,1H3.
What are the key properties of 1-(3-bromo-1H-indol-6-yl)ethanone?
1-(3-bromo-1H-indol-6-yl)ethanone has a molecular weight of 238.08 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1H-indol-6-yl)ethanone is sourced from PubChem (CID 83897897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).