5-bromo-2,3-dimethyl-1H-indole

C10H10BrN — CID 12793097

IUPAC5-bromo-2,3-dimethyl-1H-indole
SMILESCc1[nH]c2ccc(Br)cc2c1C
InChIInChI=1S/C10H10BrN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3
InChIKeyIOGAIEWEHFPGNO-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.55
Rot. Bonds

About 5-bromo-2,3-dimethyl-1H-indole

5-bromo-2,3-dimethyl-1H-indole (PubChem CID 12793097) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 5-bromo-2,3-dimethyl-1H-indole.

Molecular Properties

Compound Name5-bromo-2,3-dimethyl-1H-indole
PubChem CID12793097
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name5-bromo-2,3-dimethyl-1H-indole
SMILESCc1[nH]c2ccc(Br)cc2c1C
InChIInChI=1S/C10H10BrN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3
InChIKeyIOGAIEWEHFPGNO-UHFFFAOYSA-N
XLogP3.55
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.55
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 5-bromo-2,3-dimethyl-1H-indole?
The IUPAC name of 5-bromo-2,3-dimethyl-1H-indole (CID 12793097) is 5-bromo-2,3-dimethyl-1H-indole.
What is the SMILES notation for 5-bromo-2,3-dimethyl-1H-indole?
The canonical SMILES for 5-bromo-2,3-dimethyl-1H-indole is Cc1[nH]c2ccc(Br)cc2c1C.
What is the InChIKey of 5-bromo-2,3-dimethyl-1H-indole?
The InChIKey is IOGAIEWEHFPGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3.
What are the key properties of 5-bromo-2,3-dimethyl-1H-indole?
5-bromo-2,3-dimethyl-1H-indole has a molecular weight of 224.10 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethyl-1H-indole is sourced from PubChem (CID 12793097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).