6-bromo-3-ethyl-1-methylindole

C11H12BrN — CID 115042453

IUPAC6-bromo-3-ethyl-1-methylindole
SMILESCCc1cn(C)c2cc(Br)ccc12
InChIInChI=1S/C11H12BrN/c1-3-8-7-13(2)11-6-9(12)4-5-10(8)11/h4-7H,3H2,1-2H3
InChIKeyZJNDTCJHJZLFQQ-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.50
Rot. Bonds1

About 6-bromo-3-ethyl-1-methylindole

6-bromo-3-ethyl-1-methylindole (PubChem CID 115042453) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 6-bromo-3-ethyl-1-methylindole.

Molecular Properties

Compound Name6-bromo-3-ethyl-1-methylindole
PubChem CID115042453
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name6-bromo-3-ethyl-1-methylindole
SMILESCCc1cn(C)c2cc(Br)ccc12
InChIInChI=1S/C11H12BrN/c1-3-8-7-13(2)11-6-9(12)4-5-10(8)11/h4-7H,3H2,1-2H3
InChIKeyZJNDTCJHJZLFQQ-UHFFFAOYSA-N
XLogP3.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-1-methylindole?
The IUPAC name of 6-bromo-3-ethyl-1-methylindole (CID 115042453) is 6-bromo-3-ethyl-1-methylindole.
What is the SMILES notation for 6-bromo-3-ethyl-1-methylindole?
The canonical SMILES for 6-bromo-3-ethyl-1-methylindole is CCc1cn(C)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-ethyl-1-methylindole?
The InChIKey is ZJNDTCJHJZLFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-3-8-7-13(2)11-6-9(12)4-5-10(8)11/h4-7H,3H2,1-2H3.
What are the key properties of 6-bromo-3-ethyl-1-methylindole?
6-bromo-3-ethyl-1-methylindole has a molecular weight of 238.13 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-1-methylindole is sourced from PubChem (CID 115042453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).