7-bromo-2,3,3-trimethylindole

C11H12BrN — CID 20553392

IUPAC7-bromo-2,3,3-trimethylindole
SMILESCC1=Nc2c(Br)cccc2C1(C)C
InChIInChI=1S/C11H12BrN/c1-7-11(2,3)8-5-4-6-9(12)10(8)13-7/h4-6H,1-3H3
InChIKeyXOJIBYMUAAIIGI-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.83
Rot. Bonds

About 7-bromo-2,3,3-trimethylindole

7-bromo-2,3,3-trimethylindole (PubChem CID 20553392) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 7-bromo-2,3,3-trimethylindole.

Molecular Properties

Compound Name7-bromo-2,3,3-trimethylindole
PubChem CID20553392
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name7-bromo-2,3,3-trimethylindole
SMILESCC1=Nc2c(Br)cccc2C1(C)C
InChIInChI=1S/C11H12BrN/c1-7-11(2,3)8-5-4-6-9(12)10(8)13-7/h4-6H,1-3H3
InChIKeyXOJIBYMUAAIIGI-UHFFFAOYSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3,3-trimethylindole?
The IUPAC name of 7-bromo-2,3,3-trimethylindole (CID 20553392) is 7-bromo-2,3,3-trimethylindole.
What is the SMILES notation for 7-bromo-2,3,3-trimethylindole?
The canonical SMILES for 7-bromo-2,3,3-trimethylindole is CC1=Nc2c(Br)cccc2C1(C)C.
What is the InChIKey of 7-bromo-2,3,3-trimethylindole?
The InChIKey is XOJIBYMUAAIIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-7-11(2,3)8-5-4-6-9(12)10(8)13-7/h4-6H,1-3H3.
What are the key properties of 7-bromo-2,3,3-trimethylindole?
7-bromo-2,3,3-trimethylindole has a molecular weight of 238.13 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3,3-trimethylindole is sourced from PubChem (CID 20553392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).