7-fluoroindolizine-1-carbaldehyde

C9H6FNO — CID 169202926

IUPAC7-fluoroindolizine-1-carbaldehyde
SMILESO=Cc1ccn2ccc(F)cc12
InChIInChI=1S/C9H6FNO/c10-8-2-4-11-3-1-7(6-12)9(11)5-8/h1-6H
InChIKeyDFNYZAFTNKRHRK-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.89
Rot. Bonds1

About 7-fluoroindolizine-1-carbaldehyde

7-fluoroindolizine-1-carbaldehyde (PubChem CID 169202926) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 7-fluoroindolizine-1-carbaldehyde.

Molecular Properties

Compound Name7-fluoroindolizine-1-carbaldehyde
PubChem CID169202926
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name7-fluoroindolizine-1-carbaldehyde
SMILESO=Cc1ccn2ccc(F)cc12
InChIInChI=1S/C9H6FNO/c10-8-2-4-11-3-1-7(6-12)9(11)5-8/h1-6H
InChIKeyDFNYZAFTNKRHRK-UHFFFAOYSA-N
XLogP1.89
TPSA21.48 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 ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-fluoroindolizine-1-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 7-fluoroindolizine-1-carbaldehyde?
The IUPAC name of 7-fluoroindolizine-1-carbaldehyde (CID 169202926) is 7-fluoroindolizine-1-carbaldehyde.
What is the SMILES notation for 7-fluoroindolizine-1-carbaldehyde?
The canonical SMILES for 7-fluoroindolizine-1-carbaldehyde is O=Cc1ccn2ccc(F)cc12.
What is the InChIKey of 7-fluoroindolizine-1-carbaldehyde?
The InChIKey is DFNYZAFTNKRHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-8-2-4-11-3-1-7(6-12)9(11)5-8/h1-6H.
What are the key properties of 7-fluoroindolizine-1-carbaldehyde?
7-fluoroindolizine-1-carbaldehyde has a molecular weight of 163.15 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoroindolizine-1-carbaldehyde is sourced from PubChem (CID 169202926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).