2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde

C17H12FNO2 — CID 705660

IUPAC2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde
SMILESCc1ccn2c(C=O)c(-c3ccc(F)cc3)c(C=O)c2c1
InChIInChI=1S/C17H12FNO2/c1-11-6-7-19-15(8-11)14(9-20)17(16(19)10-21)12-2-4-13(18)5-3-12/h2-10H,1H3
InChIKeyLEOZOXJLWCYANA-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde

2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde (PubChem CID 705660) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde
PubChem CID705660
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde
SMILESCc1ccn2c(C=O)c(-c3ccc(F)cc3)c(C=O)c2c1
InChIInChI=1S/C17H12FNO2/c1-11-6-7-19-15(8-11)14(9-20)17(16(19)10-21)12-2-4-13(18)5-3-12/h2-10H,1H3
InChIKeyLEOZOXJLWCYANA-UHFFFAOYSA-N
XLogP3.68
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde (CID 705660) is 2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde is Cc1ccn2c(C=O)c(-c3ccc(F)cc3)c(C=O)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde?
The InChIKey is LEOZOXJLWCYANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-11-6-7-19-15(8-11)14(9-20)17(16(19)10-21)12-2-4-13(18)5-3-12/h2-10H,1H3.
What are the key properties of 2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde?
2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde has a molecular weight of 281.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-methylindolizine-1,3-dicarbaldehyde is sourced from PubChem (CID 705660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).