4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C18H14FNO5 — CID 58317254

IUPAC4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1cc(=O)oc2c1C(=O)N(CC(=O)c1cccc(F)c1)C(=O)C2
InChIInChI=1S/C18H14FNO5/c1-2-10-7-16(23)25-14-8-15(22)20(18(24)17(10)14)9-13(21)11-4-3-5-12(19)6-11/h3-7H,2,8-9H2,1H3
InChIKeyVZUSZBYXODQJCG-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.75
Rot. Bonds4

About 4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317254) has the molecular formula C18H14FNO5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317254
Molecular FormulaC18H14FNO5
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC Name4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1cc(=O)oc2c1C(=O)N(CC(=O)c1cccc(F)c1)C(=O)C2
InChIInChI=1S/C18H14FNO5/c1-2-10-7-16(23)25-14-8-15(22)20(18(24)17(10)14)9-13(21)11-4-3-5-12(19)6-11/h3-7H,2,8-9H2,1H3
InChIKeyVZUSZBYXODQJCG-UHFFFAOYSA-N
XLogP1.75
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-((1-(2-(4-fluorophenyl)acetyl)piperidin-4-yl)oxy)-6-methyl-2H-pyran-2-one
CID 76151438
5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 15605502
methyl 2-[(2-fluorophenyl)methylidene]-4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate
CID 54288846
5-Ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione
CID 58187498
4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317210
Propan-2-yl 1-[2-(2,4-difluorophenyl)-2-oxoethyl]-2-oxopyridine-4-carboxylate
CID 75506013
Propan-2-yl 1-[2-(2-fluorophenyl)-2-oxoethyl]-2-oxopyridine-4-carboxylate
CID 75506014
4-((1-(3-fluorobenzoyl)piperidin-4-yl)oxy)-6-methyl-2H-pyran-2-one
CID 76151484
Propan-2-yl 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-2-oxopyridine-4-carboxylate
CID 86790951
4-((1-(2-fluorobenzoyl)piperidin-4-yl)oxy)-6-methyl-2H-pyran-2-one
CID 90628947
4-((1-(4-fluorobenzoyl)piperidin-4-yl)oxy)-6-methyl-2H-pyran-2-one
CID 90628948
4-((1-(3,4-difluorobenzoyl)piperidin-4-yl)oxy)-6-methyl-2H-pyran-2-one
CID 90628955

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317254) is 4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCc1cc(=O)oc2c1C(=O)N(CC(=O)c1cccc(F)c1)C(=O)C2.
What is the InChIKey of 4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is VZUSZBYXODQJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO5/c1-2-10-7-16(23)25-14-8-15(22)20(18(24)17(10)14)9-13(21)11-4-3-5-12(19)6-11/h3-7H,2,8-9H2,1H3.
What are the key properties of 4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 343.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).