6-bromo-1,4-dimethylindole

C10H10BrN — CID 122697922

IUPAC6-bromo-1,4-dimethylindole
SMILESCc1cc(Br)cc2c1ccn2C
InChIInChI=1S/C10H10BrN/c1-7-5-8(11)6-10-9(7)3-4-12(10)2/h3-6H,1-2H3
InChIKeyWKCAYOTUQMCUFI-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.25
Rot. Bonds

About 6-bromo-1,4-dimethylindole

6-bromo-1,4-dimethylindole (PubChem CID 122697922) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 6-bromo-1,4-dimethylindole.

Molecular Properties

Compound Name6-bromo-1,4-dimethylindole
PubChem CID122697922
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name6-bromo-1,4-dimethylindole
SMILESCc1cc(Br)cc2c1ccn2C
InChIInChI=1S/C10H10BrN/c1-7-5-8(11)6-10-9(7)3-4-12(10)2/h3-6H,1-2H3
InChIKeyWKCAYOTUQMCUFI-UHFFFAOYSA-N
XLogP3.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,4-dimethylindole?
The IUPAC name of 6-bromo-1,4-dimethylindole (CID 122697922) is 6-bromo-1,4-dimethylindole.
What is the SMILES notation for 6-bromo-1,4-dimethylindole?
The canonical SMILES for 6-bromo-1,4-dimethylindole is Cc1cc(Br)cc2c1ccn2C.
What is the InChIKey of 6-bromo-1,4-dimethylindole?
The InChIKey is WKCAYOTUQMCUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-7-5-8(11)6-10-9(7)3-4-12(10)2/h3-6H,1-2H3.
What are the key properties of 6-bromo-1,4-dimethylindole?
6-bromo-1,4-dimethylindole has a molecular weight of 224.10 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,4-dimethylindole is sourced from PubChem (CID 122697922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).