6-bromo-4-methoxy-1,3-dimethylindole

C11H12BrNO — CID 154728785

IUPAC6-bromo-4-methoxy-1,3-dimethylindole
SMILESCOc1cc(Br)cc2c1c(C)cn2C
InChIInChI=1S/C11H12BrNO/c1-7-6-13(2)9-4-8(12)5-10(14-3)11(7)9/h4-6H,1-3H3
InChIKeyIRRSTBHWOGOLDV-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.26
Rot. Bonds1

About 6-bromo-4-methoxy-1,3-dimethylindole

6-bromo-4-methoxy-1,3-dimethylindole (PubChem CID 154728785) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 6-bromo-4-methoxy-1,3-dimethylindole.

Molecular Properties

Compound Name6-bromo-4-methoxy-1,3-dimethylindole
PubChem CID154728785
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name6-bromo-4-methoxy-1,3-dimethylindole
SMILESCOc1cc(Br)cc2c1c(C)cn2C
InChIInChI=1S/C11H12BrNO/c1-7-6-13(2)9-4-8(12)5-10(14-3)11(7)9/h4-6H,1-3H3
InChIKeyIRRSTBHWOGOLDV-UHFFFAOYSA-N
XLogP3.26
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxy-1,3-dimethylindole?
The IUPAC name of 6-bromo-4-methoxy-1,3-dimethylindole (CID 154728785) is 6-bromo-4-methoxy-1,3-dimethylindole.
What is the SMILES notation for 6-bromo-4-methoxy-1,3-dimethylindole?
The canonical SMILES for 6-bromo-4-methoxy-1,3-dimethylindole is COc1cc(Br)cc2c1c(C)cn2C.
What is the InChIKey of 6-bromo-4-methoxy-1,3-dimethylindole?
The InChIKey is IRRSTBHWOGOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-7-6-13(2)9-4-8(12)5-10(14-3)11(7)9/h4-6H,1-3H3.
What are the key properties of 6-bromo-4-methoxy-1,3-dimethylindole?
6-bromo-4-methoxy-1,3-dimethylindole has a molecular weight of 254.13 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxy-1,3-dimethylindole is sourced from PubChem (CID 154728785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).