4-bromo-5-hydroxy-1H-indole-3-carbaldehyde

C9H6BrNO2 — CID 84701719

IUPAC4-bromo-5-hydroxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(O)c(Br)c12
InChIInChI=1S/C9H6BrNO2/c10-9-7(13)2-1-6-8(9)5(4-12)3-11-6/h1-4,11,13H
InChIKeySLQUYSRXZWWVPI-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.45
Rot. Bonds1

About 4-bromo-5-hydroxy-1H-indole-3-carbaldehyde

4-bromo-5-hydroxy-1H-indole-3-carbaldehyde (PubChem CID 84701719) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 4-bromo-5-hydroxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-hydroxy-1H-indole-3-carbaldehyde
PubChem CID84701719
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name4-bromo-5-hydroxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(O)c(Br)c12
InChIInChI=1S/C9H6BrNO2/c10-9-7(13)2-1-6-8(9)5(4-12)3-11-6/h1-4,11,13H
InChIKeySLQUYSRXZWWVPI-UHFFFAOYSA-N
XLogP2.45
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-hydroxy-1H-indole-3-carbaldehyde?
The IUPAC name of 4-bromo-5-hydroxy-1H-indole-3-carbaldehyde (CID 84701719) is 4-bromo-5-hydroxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-bromo-5-hydroxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-bromo-5-hydroxy-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2ccc(O)c(Br)c12.
What is the InChIKey of 4-bromo-5-hydroxy-1H-indole-3-carbaldehyde?
The InChIKey is SLQUYSRXZWWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c10-9-7(13)2-1-6-8(9)5(4-12)3-11-6/h1-4,11,13H.
What are the key properties of 4-bromo-5-hydroxy-1H-indole-3-carbaldehyde?
4-bromo-5-hydroxy-1H-indole-3-carbaldehyde has a molecular weight of 240.06 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-hydroxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 84701719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).