5-bromo-1H-indole-7-carbaldehyde

C9H6BrNO — CID 82391883

IUPAC5-bromo-1H-indole-7-carbaldehyde
SMILESO=Cc1cc(Br)cc2cc[nH]c12
InChIInChI=1S/C9H6BrNO/c10-8-3-6-1-2-11-9(6)7(4-8)5-12/h1-5,11H
InChIKeyDMHQPDGQEULJGY-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.74
Rot. Bonds1

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

5-bromo-1H-indole-7-carbaldehyde (PubChem CID 82391883) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 5-bromo-1H-indole-7-carbaldehyde.

Molecular Properties

Compound Name5-bromo-1H-indole-7-carbaldehyde
PubChem CID82391883
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name5-bromo-1H-indole-7-carbaldehyde
SMILESO=Cc1cc(Br)cc2cc[nH]c12
InChIInChI=1S/C9H6BrNO/c10-8-3-6-1-2-11-9(6)7(4-8)5-12/h1-5,11H
InChIKeyDMHQPDGQEULJGY-UHFFFAOYSA-N
XLogP2.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indole-7-carbaldehyde?
The IUPAC name of 5-bromo-1H-indole-7-carbaldehyde (CID 82391883) is 5-bromo-1H-indole-7-carbaldehyde.
What is the SMILES notation for 5-bromo-1H-indole-7-carbaldehyde?
The canonical SMILES for 5-bromo-1H-indole-7-carbaldehyde is O=Cc1cc(Br)cc2cc[nH]c12.
What is the InChIKey of 5-bromo-1H-indole-7-carbaldehyde?
The InChIKey is DMHQPDGQEULJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-8-3-6-1-2-11-9(6)7(4-8)5-12/h1-5,11H.
What are the key properties of 5-bromo-1H-indole-7-carbaldehyde?
5-bromo-1H-indole-7-carbaldehyde has a molecular weight of 224.06 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indole-7-carbaldehyde is sourced from PubChem (CID 82391883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).