5-bromo-7-ethyl-1H-indole

C10H10BrN — CID 21071575

IUPAC5-bromo-7-ethyl-1H-indole
SMILESCCc1cc(Br)cc2cc[nH]c12
InChIInChI=1S/C10H10BrN/c1-2-7-5-9(11)6-8-3-4-12-10(7)8/h3-6,12H,2H2,1H3
InChIKeySJJDMAUWJKZIJL-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.49
Rot. Bonds1

About 5-bromo-7-ethyl-1H-indole

5-bromo-7-ethyl-1H-indole (PubChem CID 21071575) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 5-bromo-7-ethyl-1H-indole.

Molecular Properties

Compound Name5-bromo-7-ethyl-1H-indole
PubChem CID21071575
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name5-bromo-7-ethyl-1H-indole
SMILESCCc1cc(Br)cc2cc[nH]c12
InChIInChI=1S/C10H10BrN/c1-2-7-5-9(11)6-8-3-4-12-10(7)8/h3-6,12H,2H2,1H3
InChIKeySJJDMAUWJKZIJL-UHFFFAOYSA-N
XLogP3.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-ethyl-1H-indole?
The IUPAC name of 5-bromo-7-ethyl-1H-indole (CID 21071575) is 5-bromo-7-ethyl-1H-indole.
What is the SMILES notation for 5-bromo-7-ethyl-1H-indole?
The canonical SMILES for 5-bromo-7-ethyl-1H-indole is CCc1cc(Br)cc2cc[nH]c12.
What is the InChIKey of 5-bromo-7-ethyl-1H-indole?
The InChIKey is SJJDMAUWJKZIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-2-7-5-9(11)6-8-3-4-12-10(7)8/h3-6,12H,2H2,1H3.
What are the key properties of 5-bromo-7-ethyl-1H-indole?
5-bromo-7-ethyl-1H-indole has a molecular weight of 224.10 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-ethyl-1H-indole is sourced from PubChem (CID 21071575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).