6-bromo-5,6-dihydro-1H-indole

C8H8BrN — CID 118899465

IUPAC6-bromo-5,6-dihydro-1H-indole
SMILESBrC1C=c2[nH]ccc2=CC1
InChIInChI=1S/C8H8BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1,3-5,7,10H,2H2
InChIKeyLRNCOQBHHDXJHT-UHFFFAOYSA-N
MW198.06 g/mol
LogP0.74
Rot. Bonds

About 6-bromo-5,6-dihydro-1H-indole

6-bromo-5,6-dihydro-1H-indole (PubChem CID 118899465) has the molecular formula C8H8BrN and a molecular weight of 198.06 g/mol. Its IUPAC name is 6-bromo-5,6-dihydro-1H-indole.

Molecular Properties

Compound Name6-bromo-5,6-dihydro-1H-indole
PubChem CID118899465
Molecular FormulaC8H8BrN
Molecular Weight198.06 g/mol
Exact Mass196.98
IUPAC Name6-bromo-5,6-dihydro-1H-indole
SMILESBrC1C=c2[nH]ccc2=CC1
InChIInChI=1S/C8H8BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1,3-5,7,10H,2H2
InChIKeyLRNCOQBHHDXJHT-UHFFFAOYSA-N
XLogP0.74
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.06
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,6-dihydro-1H-indole?
The IUPAC name of 6-bromo-5,6-dihydro-1H-indole (CID 118899465) is 6-bromo-5,6-dihydro-1H-indole.
What is the SMILES notation for 6-bromo-5,6-dihydro-1H-indole?
The canonical SMILES for 6-bromo-5,6-dihydro-1H-indole is BrC1C=c2[nH]ccc2=CC1.
What is the InChIKey of 6-bromo-5,6-dihydro-1H-indole?
The InChIKey is LRNCOQBHHDXJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1,3-5,7,10H,2H2.
What are the key properties of 6-bromo-5,6-dihydro-1H-indole?
6-bromo-5,6-dihydro-1H-indole has a molecular weight of 198.06 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,6-dihydro-1H-indole is sourced from PubChem (CID 118899465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).