2-bromo-1,3,4,6-tetramethylindole

C12H14BrN — CID 84634563

IUPAC2-bromo-1,3,4,6-tetramethylindole
SMILESCc1cc(C)c2c(C)c(Br)n(C)c2c1
InChIInChI=1S/C12H14BrN/c1-7-5-8(2)11-9(3)12(13)14(4)10(11)6-7/h5-6H,1-4H3
InChIKeyMBHGBIFFEABRPZ-UHFFFAOYSA-N
MW252.15 g/mol
LogP3.87
Rot. Bonds

About 2-bromo-1,3,4,6-tetramethylindole

2-bromo-1,3,4,6-tetramethylindole (PubChem CID 84634563) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-bromo-1,3,4,6-tetramethylindole.

Molecular Properties

Compound Name2-bromo-1,3,4,6-tetramethylindole
PubChem CID84634563
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name2-bromo-1,3,4,6-tetramethylindole
SMILESCc1cc(C)c2c(C)c(Br)n(C)c2c1
InChIInChI=1S/C12H14BrN/c1-7-5-8(2)11-9(3)12(13)14(4)10(11)6-7/h5-6H,1-4H3
InChIKeyMBHGBIFFEABRPZ-UHFFFAOYSA-N
XLogP3.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3,4,6-tetramethylindole?
The IUPAC name of 2-bromo-1,3,4,6-tetramethylindole (CID 84634563) is 2-bromo-1,3,4,6-tetramethylindole.
What is the SMILES notation for 2-bromo-1,3,4,6-tetramethylindole?
The canonical SMILES for 2-bromo-1,3,4,6-tetramethylindole is Cc1cc(C)c2c(C)c(Br)n(C)c2c1.
What is the InChIKey of 2-bromo-1,3,4,6-tetramethylindole?
The InChIKey is MBHGBIFFEABRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-7-5-8(2)11-9(3)12(13)14(4)10(11)6-7/h5-6H,1-4H3.
What are the key properties of 2-bromo-1,3,4,6-tetramethylindole?
2-bromo-1,3,4,6-tetramethylindole has a molecular weight of 252.15 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3,4,6-tetramethylindole is sourced from PubChem (CID 84634563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).