3-bromo-5-methoxy-1-methylindole

C10H10BrNO — CID 67003649

IUPAC3-bromo-5-methoxy-1-methylindole
SMILESCOc1ccc2c(c1)c(Br)cn2C
InChIInChI=1S/C10H10BrNO/c1-12-6-9(11)8-5-7(13-2)3-4-10(8)12/h3-6H,1-2H3
InChIKeyZEAGHCHUGYVPRS-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.95
Rot. Bonds1

About 3-bromo-5-methoxy-1-methylindole

3-bromo-5-methoxy-1-methylindole (PubChem CID 67003649) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-bromo-5-methoxy-1-methylindole.

Molecular Properties

Compound Name3-bromo-5-methoxy-1-methylindole
PubChem CID67003649
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name3-bromo-5-methoxy-1-methylindole
SMILESCOc1ccc2c(c1)c(Br)cn2C
InChIInChI=1S/C10H10BrNO/c1-12-6-9(11)8-5-7(13-2)3-4-10(8)12/h3-6H,1-2H3
InChIKeyZEAGHCHUGYVPRS-UHFFFAOYSA-N
XLogP2.95
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-1-methylindole?
The IUPAC name of 3-bromo-5-methoxy-1-methylindole (CID 67003649) is 3-bromo-5-methoxy-1-methylindole.
What is the SMILES notation for 3-bromo-5-methoxy-1-methylindole?
The canonical SMILES for 3-bromo-5-methoxy-1-methylindole is COc1ccc2c(c1)c(Br)cn2C.
What is the InChIKey of 3-bromo-5-methoxy-1-methylindole?
The InChIKey is ZEAGHCHUGYVPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-12-6-9(11)8-5-7(13-2)3-4-10(8)12/h3-6H,1-2H3.
What are the key properties of 3-bromo-5-methoxy-1-methylindole?
3-bromo-5-methoxy-1-methylindole has a molecular weight of 240.10 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-1-methylindole is sourced from PubChem (CID 67003649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).