6-bromo-7-hydroxy-1H-indole-3-carbaldehyde

C9H6BrNO2 — CID 123695030

IUPAC6-bromo-7-hydroxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c(O)c(Br)ccc12
InChIInChI=1S/C9H6BrNO2/c10-7-2-1-6-5(4-12)3-11-8(6)9(7)13/h1-4,11,13H
InChIKeyXPUYULQEHCJLKJ-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.45
Rot. Bonds1

About 6-bromo-7-hydroxy-1H-indole-3-carbaldehyde

6-bromo-7-hydroxy-1H-indole-3-carbaldehyde (PubChem CID 123695030) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 6-bromo-7-hydroxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-7-hydroxy-1H-indole-3-carbaldehyde
PubChem CID123695030
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name6-bromo-7-hydroxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c(O)c(Br)ccc12
InChIInChI=1S/C9H6BrNO2/c10-7-2-1-6-5(4-12)3-11-8(6)9(7)13/h1-4,11,13H
InChIKeyXPUYULQEHCJLKJ-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'}

Analyze 6-bromo-7-hydroxy-1H-indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-hydroxy-1H-indole-3-carbaldehyde?
The IUPAC name of 6-bromo-7-hydroxy-1H-indole-3-carbaldehyde (CID 123695030) is 6-bromo-7-hydroxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 6-bromo-7-hydroxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 6-bromo-7-hydroxy-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2c(O)c(Br)ccc12.
What is the InChIKey of 6-bromo-7-hydroxy-1H-indole-3-carbaldehyde?
The InChIKey is XPUYULQEHCJLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c10-7-2-1-6-5(4-12)3-11-8(6)9(7)13/h1-4,11,13H.
What are the key properties of 6-bromo-7-hydroxy-1H-indole-3-carbaldehyde?
6-bromo-7-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 6-bromo-7-hydroxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 123695030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).