6-hydroxy-1H-indole-2-carbaldehyde

C9H7NO2 — CID 82415497

IUPAC6-hydroxy-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C9H7NO2/c11-5-7-3-6-1-2-8(12)4-9(6)10-7/h1-5,10,12H
InChIKeyJFMSRWMPWUNLOM-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.69
Rot. Bonds1

About 6-hydroxy-1H-indole-2-carbaldehyde

6-hydroxy-1H-indole-2-carbaldehyde (PubChem CID 82415497) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 6-hydroxy-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-1H-indole-2-carbaldehyde
PubChem CID82415497
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name6-hydroxy-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C9H7NO2/c11-5-7-3-6-1-2-8(12)4-9(6)10-7/h1-5,10,12H
InChIKeyJFMSRWMPWUNLOM-UHFFFAOYSA-N
XLogP1.69
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.69
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 6-hydroxy-1H-indole-2-carbaldehyde?
The IUPAC name of 6-hydroxy-1H-indole-2-carbaldehyde (CID 82415497) is 6-hydroxy-1H-indole-2-carbaldehyde.
What is the SMILES notation for 6-hydroxy-1H-indole-2-carbaldehyde?
The canonical SMILES for 6-hydroxy-1H-indole-2-carbaldehyde is O=Cc1cc2ccc(O)cc2[nH]1.
What is the InChIKey of 6-hydroxy-1H-indole-2-carbaldehyde?
The InChIKey is JFMSRWMPWUNLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-5-7-3-6-1-2-8(12)4-9(6)10-7/h1-5,10,12H.
What are the key properties of 6-hydroxy-1H-indole-2-carbaldehyde?
6-hydroxy-1H-indole-2-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1H-indole-2-carbaldehyde is sourced from PubChem (CID 82415497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).