7-bromo-5-methyl-1H-indole

C9H8BrN — CID 3403330

IUPAC7-bromo-5-methyl-1H-indole
SMILESCc1cc(Br)c2[nH]ccc2c1
InChIInChI=1S/C9H8BrN/c1-6-4-7-2-3-11-9(7)8(10)5-6/h2-5,11H,1H3
InChIKeyDCPYEEKBRKJUCY-UHFFFAOYSA-N
MW210.07 g/mol
LogP3.24
Rot. Bonds

About 7-bromo-5-methyl-1H-indole

7-bromo-5-methyl-1H-indole (PubChem CID 3403330) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 7-bromo-5-methyl-1H-indole.

Molecular Properties

Compound Name7-bromo-5-methyl-1H-indole
PubChem CID3403330
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name7-bromo-5-methyl-1H-indole
SMILESCc1cc(Br)c2[nH]ccc2c1
InChIInChI=1S/C9H8BrN/c1-6-4-7-2-3-11-9(7)8(10)5-6/h2-5,11H,1H3
InChIKeyDCPYEEKBRKJUCY-UHFFFAOYSA-N
XLogP3.24
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-1H-indole?
The IUPAC name of 7-bromo-5-methyl-1H-indole (CID 3403330) is 7-bromo-5-methyl-1H-indole.
What is the SMILES notation for 7-bromo-5-methyl-1H-indole?
The canonical SMILES for 7-bromo-5-methyl-1H-indole is Cc1cc(Br)c2[nH]ccc2c1.
What is the InChIKey of 7-bromo-5-methyl-1H-indole?
The InChIKey is DCPYEEKBRKJUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c1-6-4-7-2-3-11-9(7)8(10)5-6/h2-5,11H,1H3.
What are the key properties of 7-bromo-5-methyl-1H-indole?
7-bromo-5-methyl-1H-indole has a molecular weight of 210.07 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-1H-indole is sourced from PubChem (CID 3403330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).