6-bromo-2,3,3-trimethylindole

C11H12BrN — CID 67309112

IUPAC6-bromo-2,3,3-trimethylindole
SMILESCC1=Nc2cc(Br)ccc2C1(C)C
InChIInChI=1S/C11H12BrN/c1-7-11(2,3)9-5-4-8(12)6-10(9)13-7/h4-6H,1-3H3
InChIKeySKUKGKAUVXUSKE-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.83
Rot. Bonds

About 6-bromo-2,3,3-trimethylindole

6-bromo-2,3,3-trimethylindole (PubChem CID 67309112) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 6-bromo-2,3,3-trimethylindole.

Molecular Properties

Compound Name6-bromo-2,3,3-trimethylindole
PubChem CID67309112
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name6-bromo-2,3,3-trimethylindole
SMILESCC1=Nc2cc(Br)ccc2C1(C)C
InChIInChI=1S/C11H12BrN/c1-7-11(2,3)9-5-4-8(12)6-10(9)13-7/h4-6H,1-3H3
InChIKeySKUKGKAUVXUSKE-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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Related Compounds

3H-Indole, 2,3,3-trimethyl-
CID 15427
4A-Methyl-2,3,4,4A-tetrahydro-1H-carbazole
CID 3292772
5-Bromo-2,3,3-trimethyl-3H-indole
CID 11230141
2-[(E)-2-(4-bromophenyl)ethenyl]-3,3-dimethylindole
CID 13593039
7-bromo-2,3,3-trimethyl-3H-indole
CID 20553392
5-Bromo-2-tert-butylaniline
CID 11959031
2'-Methylspiro[cyclopentane-1,3'-indole]
CID 556125
Benzenamine, N-[1-(4-bromophenyl)ethylidene]-
CID 641181
2-Ethyl-3,3-dimethyl-3H-indole
CID 589046
3-Ethyl-2,3-dimethyl-3H-indole
CID 594165
2,3,3-Trimethyl-3h-indole hydrochloride
CID 12220934
3,3-Dimethyl-2-propan-2-ylindole
CID 14316364

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3,3-trimethylindole?
The IUPAC name of 6-bromo-2,3,3-trimethylindole (CID 67309112) is 6-bromo-2,3,3-trimethylindole.
What is the SMILES notation for 6-bromo-2,3,3-trimethylindole?
The canonical SMILES for 6-bromo-2,3,3-trimethylindole is CC1=Nc2cc(Br)ccc2C1(C)C.
What is the InChIKey of 6-bromo-2,3,3-trimethylindole?
The InChIKey is SKUKGKAUVXUSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-7-11(2,3)9-5-4-8(12)6-10(9)13-7/h4-6H,1-3H3.
What are the key properties of 6-bromo-2,3,3-trimethylindole?
6-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 6-bromo-2,3,3-trimethylindole is sourced from PubChem (CID 67309112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).