6-bromo-3-methyl-2H-indole

C9H8BrN — CID 124517261

IUPAC6-bromo-3-methyl-2H-indole
SMILESCC1=c2ccc(Br)cc2=NC1
InChIInChI=1S/C9H8BrN/c1-6-5-11-9-4-7(10)2-3-8(6)9/h2-4H,5H2,1H3
InChIKeyLNUXIEGZDIMWTG-UHFFFAOYSA-N
MW210.07 g/mol
LogP1.25
Rot. Bonds

About 6-bromo-3-methyl-2H-indole

6-bromo-3-methyl-2H-indole (PubChem CID 124517261) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 6-bromo-3-methyl-2H-indole.

Molecular Properties

Compound Name6-bromo-3-methyl-2H-indole
PubChem CID124517261
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name6-bromo-3-methyl-2H-indole
SMILESCC1=c2ccc(Br)cc2=NC1
InChIInChI=1S/C9H8BrN/c1-6-5-11-9-4-7(10)2-3-8(6)9/h2-4H,5H2,1H3
InChIKeyLNUXIEGZDIMWTG-UHFFFAOYSA-N
XLogP1.25
TPSA12.36 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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2H-indole?
The IUPAC name of 6-bromo-3-methyl-2H-indole (CID 124517261) is 6-bromo-3-methyl-2H-indole.
What is the SMILES notation for 6-bromo-3-methyl-2H-indole?
The canonical SMILES for 6-bromo-3-methyl-2H-indole is CC1=c2ccc(Br)cc2=NC1.
What is the InChIKey of 6-bromo-3-methyl-2H-indole?
The InChIKey is LNUXIEGZDIMWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c1-6-5-11-9-4-7(10)2-3-8(6)9/h2-4H,5H2,1H3.
What are the key properties of 6-bromo-3-methyl-2H-indole?
6-bromo-3-methyl-2H-indole has a molecular weight of 210.07 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-2H-indole is sourced from PubChem (CID 124517261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).