6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid

C15H12FNO3 — CID 66844995

IUPAC6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(F)c2)c(=O)n2c1CCC2
InChIInChI=1S/C15H12FNO3/c16-10-4-1-3-9(7-10)11-8-12(15(19)20)13-5-2-6-17(13)14(11)18/h1,3-4,7-8H,2,5-6H2,(H,19,20)
InChIKeyZCWBBJLJMVUOLE-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.30
Rot. Bonds2

About 6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid

6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid (PubChem CID 66844995) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
PubChem CID66844995
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(F)c2)c(=O)n2c1CCC2
InChIInChI=1S/C15H12FNO3/c16-10-4-1-3-9(7-10)11-8-12(15(19)20)13-5-2-6-17(13)14(11)18/h1,3-4,7-8H,2,5-6H2,(H,19,20)
InChIKeyZCWBBJLJMVUOLE-UHFFFAOYSA-N
XLogP2.30
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The IUPAC name of 6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid (CID 66844995) is 6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid.
What is the SMILES notation for 6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The canonical SMILES for 6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid is O=C(O)c1cc(-c2cccc(F)c2)c(=O)n2c1CCC2.
What is the InChIKey of 6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The InChIKey is ZCWBBJLJMVUOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-10-4-1-3-9(7-10)11-8-12(15(19)20)13-5-2-6-17(13)14(11)18/h1,3-4,7-8H,2,5-6H2,(H,19,20).
What are the key properties of 6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid has a molecular weight of 273.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid is sourced from PubChem (CID 66844995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).