2-bromo-2,3-dimethylindole

C10H10BrN — CID 68718949

IUPAC2-bromo-2,3-dimethylindole
SMILESCC1=c2ccccc2=NC1(C)Br
InChIInChI=1S/C10H10BrN/c1-7-8-5-3-4-6-9(8)12-10(7,2)11/h3-6H,1-2H3
InChIKeyKUAMDRAXXGGPBZ-UHFFFAOYSA-N
MW224.10 g/mol
LogP1.60
Rot. Bonds

About 2-bromo-2,3-dimethylindole

2-bromo-2,3-dimethylindole (PubChem CID 68718949) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-bromo-2,3-dimethylindole.

Molecular Properties

Compound Name2-bromo-2,3-dimethylindole
PubChem CID68718949
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name2-bromo-2,3-dimethylindole
SMILESCC1=c2ccccc2=NC1(C)Br
InChIInChI=1S/C10H10BrN/c1-7-8-5-3-4-6-9(8)12-10(7,2)11/h3-6H,1-2H3
InChIKeyKUAMDRAXXGGPBZ-UHFFFAOYSA-N
XLogP1.60
TPSA12.36 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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,3-dimethylindole?
The IUPAC name of 2-bromo-2,3-dimethylindole (CID 68718949) is 2-bromo-2,3-dimethylindole.
What is the SMILES notation for 2-bromo-2,3-dimethylindole?
The canonical SMILES for 2-bromo-2,3-dimethylindole is CC1=c2ccccc2=NC1(C)Br.
What is the InChIKey of 2-bromo-2,3-dimethylindole?
The InChIKey is KUAMDRAXXGGPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-7-8-5-3-4-6-9(8)12-10(7,2)11/h3-6H,1-2H3.
What are the key properties of 2-bromo-2,3-dimethylindole?
2-bromo-2,3-dimethylindole has a molecular weight of 224.10 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,3-dimethylindole is sourced from PubChem (CID 68718949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).