1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone

C11H9BrClNO — CID 115052364

IUPAC1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone
SMILESCC(=O)c1c(Br)c2ccc(Cl)cc2n1C
InChIInChI=1S/C11H9BrClNO/c1-6(15)11-10(12)8-4-3-7(13)5-9(8)14(11)2/h3-5H,1-2H3
InChIKeyRSFIAMZBTVKZNM-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.80
Rot. Bonds1

About 1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone

1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone (PubChem CID 115052364) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone
PubChem CID115052364
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone
SMILESCC(=O)c1c(Br)c2ccc(Cl)cc2n1C
InChIInChI=1S/C11H9BrClNO/c1-6(15)11-10(12)8-4-3-7(13)5-9(8)14(11)2/h3-5H,1-2H3
InChIKeyRSFIAMZBTVKZNM-UHFFFAOYSA-N
XLogP3.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone?
The IUPAC name of 1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone (CID 115052364) is 1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone?
The canonical SMILES for 1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone is CC(=O)c1c(Br)c2ccc(Cl)cc2n1C.
What is the InChIKey of 1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone?
The InChIKey is RSFIAMZBTVKZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c1-6(15)11-10(12)8-4-3-7(13)5-9(8)14(11)2/h3-5H,1-2H3.
What are the key properties of 1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone?
1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone has a molecular weight of 286.56 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-6-chloro-1-methylindol-2-yl)ethanone is sourced from PubChem (CID 115052364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).