6-fluoro-2H-indole-7-carbaldehyde

C9H6FNO — CID 87383215

IUPAC6-fluoro-2H-indole-7-carbaldehyde
SMILESO=Cc1c(F)ccc2c1=NCC=2
InChIInChI=1S/C9H6FNO/c10-8-2-1-6-3-4-11-9(6)7(8)5-12/h1-3,5H,4H2
InChIKeyHWXJIGZRTJHXDR-UHFFFAOYSA-N
MW163.15 g/mol
LogP0.05
Rot. Bonds1

About 6-fluoro-2H-indole-7-carbaldehyde

6-fluoro-2H-indole-7-carbaldehyde (PubChem CID 87383215) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 6-fluoro-2H-indole-7-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2H-indole-7-carbaldehyde
PubChem CID87383215
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name6-fluoro-2H-indole-7-carbaldehyde
SMILESO=Cc1c(F)ccc2c1=NCC=2
InChIInChI=1S/C9H6FNO/c10-8-2-1-6-3-4-11-9(6)7(8)5-12/h1-3,5H,4H2
InChIKeyHWXJIGZRTJHXDR-UHFFFAOYSA-N
XLogP0.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 50.05
H-Bond Donors ≤ 50
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-fluoro-2H-indole-7-carbaldehyde?
The IUPAC name of 6-fluoro-2H-indole-7-carbaldehyde (CID 87383215) is 6-fluoro-2H-indole-7-carbaldehyde.
What is the SMILES notation for 6-fluoro-2H-indole-7-carbaldehyde?
The canonical SMILES for 6-fluoro-2H-indole-7-carbaldehyde is O=Cc1c(F)ccc2c1=NCC=2.
What is the InChIKey of 6-fluoro-2H-indole-7-carbaldehyde?
The InChIKey is HWXJIGZRTJHXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-8-2-1-6-3-4-11-9(6)7(8)5-12/h1-3,5H,4H2.
What are the key properties of 6-fluoro-2H-indole-7-carbaldehyde?
6-fluoro-2H-indole-7-carbaldehyde has a molecular weight of 163.15 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2H-indole-7-carbaldehyde is sourced from PubChem (CID 87383215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).