5-bromo-2,3,3-trimethylindole

C11H12BrN — CID 11230141

IUPAC5-bromo-2,3,3-trimethylindole
SMILESCC1=Nc2ccc(Br)cc2C1(C)C
InChIInChI=1S/C11H12BrN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
InChIKeyOUWLZEOAVCFTAQ-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.83
Rot. Bonds

About 5-bromo-2,3,3-trimethylindole

5-bromo-2,3,3-trimethylindole (PubChem CID 11230141) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 5-bromo-2,3,3-trimethylindole.

Molecular Properties

Compound Name5-bromo-2,3,3-trimethylindole
PubChem CID11230141
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name5-bromo-2,3,3-trimethylindole
SMILESCC1=Nc2ccc(Br)cc2C1(C)C
InChIInChI=1S/C11H12BrN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
InChIKeyOUWLZEOAVCFTAQ-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 5-bromo-2,3,3-trimethylindole?
The IUPAC name of 5-bromo-2,3,3-trimethylindole (CID 11230141) is 5-bromo-2,3,3-trimethylindole.
What is the SMILES notation for 5-bromo-2,3,3-trimethylindole?
The canonical SMILES for 5-bromo-2,3,3-trimethylindole is CC1=Nc2ccc(Br)cc2C1(C)C.
What is the InChIKey of 5-bromo-2,3,3-trimethylindole?
The InChIKey is OUWLZEOAVCFTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3.
What are the key properties of 5-bromo-2,3,3-trimethylindole?
5-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 5-bromo-2,3,3-trimethylindole is sourced from PubChem (CID 11230141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).