4-bromo-1-methylindole

C9H8BrN — CID 22558937

IUPAC4-bromo-1-methylindole
SMILESCn1ccc2c(Br)cccc21
InChIInChI=1S/C9H8BrN/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,1H3
InChIKeyJZOSXTYDJPHXQD-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.94
Rot. Bonds

About 4-bromo-1-methylindole

4-bromo-1-methylindole (PubChem CID 22558937) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 4-bromo-1-methylindole.

Molecular Properties

Compound Name4-bromo-1-methylindole
PubChem CID22558937
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name4-bromo-1-methylindole
SMILESCn1ccc2c(Br)cccc21
InChIInChI=1S/C9H8BrN/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,1H3
InChIKeyJZOSXTYDJPHXQD-UHFFFAOYSA-N
XLogP2.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylindole?
The IUPAC name of 4-bromo-1-methylindole (CID 22558937) is 4-bromo-1-methylindole.
What is the SMILES notation for 4-bromo-1-methylindole?
The canonical SMILES for 4-bromo-1-methylindole is Cn1ccc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-methylindole?
The InChIKey is JZOSXTYDJPHXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,1H3.
What are the key properties of 4-bromo-1-methylindole?
4-bromo-1-methylindole has a molecular weight of 210.07 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylindole is sourced from PubChem (CID 22558937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).