2-bromo-3,4,7-trimethyl-1H-indole

C11H12BrN — CID 84629053

IUPAC2-bromo-3,4,7-trimethyl-1H-indole
SMILESCc1ccc(C)c2c(C)c(Br)[nH]c12
InChIInChI=1S/C11H12BrN/c1-6-4-5-7(2)10-9(6)8(3)11(12)13-10/h4-5,13H,1-3H3
InChIKeyRRCXKIIRTMONHM-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.86
Rot. Bonds

About 2-bromo-3,4,7-trimethyl-1H-indole

2-bromo-3,4,7-trimethyl-1H-indole (PubChem CID 84629053) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 2-bromo-3,4,7-trimethyl-1H-indole.

Molecular Properties

Compound Name2-bromo-3,4,7-trimethyl-1H-indole
PubChem CID84629053
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name2-bromo-3,4,7-trimethyl-1H-indole
SMILESCc1ccc(C)c2c(C)c(Br)[nH]c12
InChIInChI=1S/C11H12BrN/c1-6-4-5-7(2)10-9(6)8(3)11(12)13-10/h4-5,13H,1-3H3
InChIKeyRRCXKIIRTMONHM-UHFFFAOYSA-N
XLogP3.86
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3,4,7-trimethyl-1H-indole-2-carboxylate
CID 7219762
N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine
CID 84622477
2,3,7-trimethyl-1H-indol-4-amine;hydrochloride
CID 67973093
2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine
CID 84640405
7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 105443504
5-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 63109373
N,N,2,3,7-pentamethyl-1H-indol-4-amine
CID 118600288
N,2,3,7-tetramethyl-1H-indol-4-amine
CID 118600283
2,2,4,4,5,8-hexamethyl-3,9-dihydro-1H-carbazole
CID 103961477
5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one
CID 43806738
5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 62038616
3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82393603

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4,7-trimethyl-1H-indole?
The IUPAC name of 2-bromo-3,4,7-trimethyl-1H-indole (CID 84629053) is 2-bromo-3,4,7-trimethyl-1H-indole.
What is the SMILES notation for 2-bromo-3,4,7-trimethyl-1H-indole?
The canonical SMILES for 2-bromo-3,4,7-trimethyl-1H-indole is Cc1ccc(C)c2c(C)c(Br)[nH]c12.
What is the InChIKey of 2-bromo-3,4,7-trimethyl-1H-indole?
The InChIKey is RRCXKIIRTMONHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-6-4-5-7(2)10-9(6)8(3)11(12)13-10/h4-5,13H,1-3H3.
What are the key properties of 2-bromo-3,4,7-trimethyl-1H-indole?
2-bromo-3,4,7-trimethyl-1H-indole has a molecular weight of 238.13 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4,7-trimethyl-1H-indole is sourced from PubChem (CID 84629053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).