4-bromo-7-methoxy-1H-indole

C9H8BrNO — CID 46835540

IUPAC4-bromo-7-methoxy-1H-indole
SMILESCOc1ccc(Br)c2cc[nH]c12
InChIInChI=1S/C9H8BrNO/c1-12-8-3-2-7(10)6-4-5-11-9(6)8/h2-5,11H,1H3
InChIKeyWCEJDYPAEFIBCD-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.94
Rot. Bonds1

About 4-bromo-7-methoxy-1H-indole

4-bromo-7-methoxy-1H-indole (PubChem CID 46835540) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 4-bromo-7-methoxy-1H-indole.

Molecular Properties

Compound Name4-bromo-7-methoxy-1H-indole
PubChem CID46835540
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name4-bromo-7-methoxy-1H-indole
SMILESCOc1ccc(Br)c2cc[nH]c12
InChIInChI=1S/C9H8BrNO/c1-12-8-3-2-7(10)6-4-5-11-9(6)8/h2-5,11H,1H3
InChIKeyWCEJDYPAEFIBCD-UHFFFAOYSA-N
XLogP2.94
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-1H-indole?
The IUPAC name of 4-bromo-7-methoxy-1H-indole (CID 46835540) is 4-bromo-7-methoxy-1H-indole.
What is the SMILES notation for 4-bromo-7-methoxy-1H-indole?
The canonical SMILES for 4-bromo-7-methoxy-1H-indole is COc1ccc(Br)c2cc[nH]c12.
What is the InChIKey of 4-bromo-7-methoxy-1H-indole?
The InChIKey is WCEJDYPAEFIBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c1-12-8-3-2-7(10)6-4-5-11-9(6)8/h2-5,11H,1H3.
What are the key properties of 4-bromo-7-methoxy-1H-indole?
4-bromo-7-methoxy-1H-indole has a molecular weight of 226.07 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-1H-indole is sourced from PubChem (CID 46835540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).