5-bromo-1-(trideuteriomethyl)indole

C9H8BrN — CID 155291943

IUPAC5-bromo-1-(trideuteriomethyl)indole
SMILES[2H]C([2H])([2H])n1ccc2cc(Br)ccc21
InChIInChI=1S/C9H8BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3/i1D3
InChIKeySBOITLSQLQGSLO-FIBGUPNXSA-N
MW213.09 g/mol
LogP2.94
Rot. Bonds1

About 5-bromo-1-(trideuteriomethyl)indole

5-bromo-1-(trideuteriomethyl)indole (PubChem CID 155291943) has the molecular formula C9H8BrN and a molecular weight of 213.09 g/mol. Its IUPAC name is 5-bromo-1-(trideuteriomethyl)indole.

Molecular Properties

Compound Name5-bromo-1-(trideuteriomethyl)indole
PubChem CID155291943
Molecular FormulaC9H8BrN
Molecular Weight213.09 g/mol
Exact Mass212.00
IUPAC Name5-bromo-1-(trideuteriomethyl)indole
SMILES[2H]C([2H])([2H])n1ccc2cc(Br)ccc21
InChIInChI=1S/C9H8BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3/i1D3
InChIKeySBOITLSQLQGSLO-FIBGUPNXSA-N
XLogP2.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.09
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(trideuteriomethyl)indole?
The IUPAC name of 5-bromo-1-(trideuteriomethyl)indole (CID 155291943) is 5-bromo-1-(trideuteriomethyl)indole.
What is the SMILES notation for 5-bromo-1-(trideuteriomethyl)indole?
The canonical SMILES for 5-bromo-1-(trideuteriomethyl)indole is [2H]C([2H])([2H])n1ccc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(trideuteriomethyl)indole?
The InChIKey is SBOITLSQLQGSLO-FIBGUPNXSA-N. The full InChI is InChI=1S/C9H8BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3/i1D3.
What are the key properties of 5-bromo-1-(trideuteriomethyl)indole?
5-bromo-1-(trideuteriomethyl)indole has a molecular weight of 213.09 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(trideuteriomethyl)indole is sourced from PubChem (CID 155291943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).