5,5-dibromoindole

C8H5Br2N — CID 170356637

IUPAC5,5-dibromoindole
SMILESBrC1(Br)C=CC2=NC=CC2=C1
InChIInChI=1S/C8H5Br2N/c9-8(10)3-1-7-6(5-8)2-4-11-7/h1-5H
InChIKeyNFZHDAXJQTYZQK-UHFFFAOYSA-N
MW274.94 g/mol
LogP2.94
Rot. Bonds

About 5,5-dibromoindole

5,5-dibromoindole (PubChem CID 170356637) has the molecular formula C8H5Br2N and a molecular weight of 274.94 g/mol. Its IUPAC name is 5,5-dibromoindole.

Molecular Properties

Compound Name5,5-dibromoindole
PubChem CID170356637
Molecular FormulaC8H5Br2N
Molecular Weight274.94 g/mol
Exact Mass272.88
IUPAC Name5,5-dibromoindole
SMILESBrC1(Br)C=CC2=NC=CC2=C1
InChIInChI=1S/C8H5Br2N/c9-8(10)3-1-7-6(5-8)2-4-11-7/h1-5H
InChIKeyNFZHDAXJQTYZQK-UHFFFAOYSA-N
XLogP2.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.94
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5,5-dibromoindole?
The IUPAC name of 5,5-dibromoindole (CID 170356637) is 5,5-dibromoindole.
What is the SMILES notation for 5,5-dibromoindole?
The canonical SMILES for 5,5-dibromoindole is BrC1(Br)C=CC2=NC=CC2=C1.
What is the InChIKey of 5,5-dibromoindole?
The InChIKey is NFZHDAXJQTYZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2N/c9-8(10)3-1-7-6(5-8)2-4-11-7/h1-5H.
What are the key properties of 5,5-dibromoindole?
5,5-dibromoindole has a molecular weight of 274.94 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibromoindole is sourced from PubChem (CID 170356637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).