3-bromo-5-ethyl-2-methyl-1H-indole

C11H12BrN — CID 82279891

IUPAC3-bromo-5-ethyl-2-methyl-1H-indole
SMILESCCc1ccc2[nH]c(C)c(Br)c2c1
InChIInChI=1S/C11H12BrN/c1-3-8-4-5-10-9(6-8)11(12)7(2)13-10/h4-6,13H,3H2,1-2H3
InChIKeyMSCALFYHNFTHIR-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.80
Rot. Bonds1

About 3-bromo-5-ethyl-2-methyl-1H-indole

3-bromo-5-ethyl-2-methyl-1H-indole (PubChem CID 82279891) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 3-bromo-5-ethyl-2-methyl-1H-indole.

Molecular Properties

Compound Name3-bromo-5-ethyl-2-methyl-1H-indole
PubChem CID82279891
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name3-bromo-5-ethyl-2-methyl-1H-indole
SMILESCCc1ccc2[nH]c(C)c(Br)c2c1
InChIInChI=1S/C11H12BrN/c1-3-8-4-5-10-9(6-8)11(12)7(2)13-10/h4-6,13H,3H2,1-2H3
InChIKeyMSCALFYHNFTHIR-UHFFFAOYSA-N
XLogP3.80
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethyl-2-methyl-1H-indole?
The IUPAC name of 3-bromo-5-ethyl-2-methyl-1H-indole (CID 82279891) is 3-bromo-5-ethyl-2-methyl-1H-indole.
What is the SMILES notation for 3-bromo-5-ethyl-2-methyl-1H-indole?
The canonical SMILES for 3-bromo-5-ethyl-2-methyl-1H-indole is CCc1ccc2[nH]c(C)c(Br)c2c1.
What is the InChIKey of 3-bromo-5-ethyl-2-methyl-1H-indole?
The InChIKey is MSCALFYHNFTHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-3-8-4-5-10-9(6-8)11(12)7(2)13-10/h4-6,13H,3H2,1-2H3.
What are the key properties of 3-bromo-5-ethyl-2-methyl-1H-indole?
3-bromo-5-ethyl-2-methyl-1H-indole has a molecular weight of 238.13 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethyl-2-methyl-1H-indole is sourced from PubChem (CID 82279891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).