3-bromo-1,2-dimethylindole

C10H10BrN — CID 11299039

IUPAC3-bromo-1,2-dimethylindole
SMILESCc1c(Br)c2ccccc2n1C
InChIInChI=1S/C10H10BrN/c1-7-10(11)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3
InChIKeyIWOBAONZGDLVQJ-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.25
Rot. Bonds

About 3-bromo-1,2-dimethylindole

3-bromo-1,2-dimethylindole (PubChem CID 11299039) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 3-bromo-1,2-dimethylindole.

Molecular Properties

Compound Name3-bromo-1,2-dimethylindole
PubChem CID11299039
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name3-bromo-1,2-dimethylindole
SMILESCc1c(Br)c2ccccc2n1C
InChIInChI=1S/C10H10BrN/c1-7-10(11)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3
InChIKeyIWOBAONZGDLVQJ-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 3-bromo-1,2-dimethylindole?
The IUPAC name of 3-bromo-1,2-dimethylindole (CID 11299039) is 3-bromo-1,2-dimethylindole.
What is the SMILES notation for 3-bromo-1,2-dimethylindole?
The canonical SMILES for 3-bromo-1,2-dimethylindole is Cc1c(Br)c2ccccc2n1C.
What is the InChIKey of 3-bromo-1,2-dimethylindole?
The InChIKey is IWOBAONZGDLVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-7-10(11)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3.
What are the key properties of 3-bromo-1,2-dimethylindole?
3-bromo-1,2-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 3-bromo-1,2-dimethylindole is sourced from PubChem (CID 11299039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).