3-bromo-4-methyl-1H-indole

C9H8BrN — CID 43163568

IUPAC3-bromo-4-methyl-1H-indole
SMILESCc1cccc2[nH]cc(Br)c12
InChIInChI=1S/C9H8BrN/c1-6-3-2-4-8-9(6)7(10)5-11-8/h2-5,11H,1H3
InChIKeyLRPUTAYFKLABEX-UHFFFAOYSA-N
MW210.07 g/mol
LogP3.24
Rot. Bonds

About 3-bromo-4-methyl-1H-indole

3-bromo-4-methyl-1H-indole (PubChem CID 43163568) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 3-bromo-4-methyl-1H-indole.

Molecular Properties

Compound Name3-bromo-4-methyl-1H-indole
PubChem CID43163568
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name3-bromo-4-methyl-1H-indole
SMILESCc1cccc2[nH]cc(Br)c12
InChIInChI=1S/C9H8BrN/c1-6-3-2-4-8-9(6)7(10)5-11-8/h2-5,11H,1H3
InChIKeyLRPUTAYFKLABEX-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 3-bromo-4-methyl-1H-indole?
The IUPAC name of 3-bromo-4-methyl-1H-indole (CID 43163568) is 3-bromo-4-methyl-1H-indole.
What is the SMILES notation for 3-bromo-4-methyl-1H-indole?
The canonical SMILES for 3-bromo-4-methyl-1H-indole is Cc1cccc2[nH]cc(Br)c12.
What is the InChIKey of 3-bromo-4-methyl-1H-indole?
The InChIKey is LRPUTAYFKLABEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c1-6-3-2-4-8-9(6)7(10)5-11-8/h2-5,11H,1H3.
What are the key properties of 3-bromo-4-methyl-1H-indole?
3-bromo-4-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 3-bromo-4-methyl-1H-indole is sourced from PubChem (CID 43163568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).