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

C11H12BrN — CID 130050197

IUPAC6-bromo-2,3,7-trimethyl-1H-indole
SMILESCc1[nH]c2c(C)c(Br)ccc2c1C
InChIInChI=1S/C11H12BrN/c1-6-8(3)13-11-7(2)10(12)5-4-9(6)11/h4-5,13H,1-3H3
InChIKeyKHLVLDTYSOXQDU-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.86
Rot. Bonds

About 6-bromo-2,3,7-trimethyl-1H-indole

6-bromo-2,3,7-trimethyl-1H-indole (PubChem CID 130050197) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 6-bromo-2,3,7-trimethyl-1H-indole.

Molecular Properties

Compound Name6-bromo-2,3,7-trimethyl-1H-indole
PubChem CID130050197
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name6-bromo-2,3,7-trimethyl-1H-indole
SMILESCc1[nH]c2c(C)c(Br)ccc2c1C
InChIInChI=1S/C11H12BrN/c1-6-8(3)13-11-7(2)10(12)5-4-9(6)11/h4-5,13H,1-3H3
InChIKeyKHLVLDTYSOXQDU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3,7-trimethyl-1H-indole?
The IUPAC name of 6-bromo-2,3,7-trimethyl-1H-indole (CID 130050197) is 6-bromo-2,3,7-trimethyl-1H-indole.
What is the SMILES notation for 6-bromo-2,3,7-trimethyl-1H-indole?
The canonical SMILES for 6-bromo-2,3,7-trimethyl-1H-indole is Cc1[nH]c2c(C)c(Br)ccc2c1C.
What is the InChIKey of 6-bromo-2,3,7-trimethyl-1H-indole?
The InChIKey is KHLVLDTYSOXQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-6-8(3)13-11-7(2)10(12)5-4-9(6)11/h4-5,13H,1-3H3.
What are the key properties of 6-bromo-2,3,7-trimethyl-1H-indole?
6-bromo-2,3,7-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 6-bromo-2,3,7-trimethyl-1H-indole is sourced from PubChem (CID 130050197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).