ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate

C15H22FNO3 — CID 167131117

IUPACethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)n1cc(CC)cc(F)c1=O
InChIInChI=1S/C15H22FNO3/c1-5-11-8-12(16)14(18)17(9-11)13(7-10(3)4)15(19)20-6-2/h8-10,13H,5-7H2,1-4H3
InChIKeyAGAWTTPFOODBRA-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.70
Rot. Bonds6

About ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate

ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate (PubChem CID 167131117) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate
PubChem CID167131117
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Nameethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)n1cc(CC)cc(F)c1=O
InChIInChI=1S/C15H22FNO3/c1-5-11-8-12(16)14(18)17(9-11)13(7-10(3)4)15(19)20-6-2/h8-10,13H,5-7H2,1-4H3
InChIKeyAGAWTTPFOODBRA-UHFFFAOYSA-N
XLogP2.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate?
The IUPAC name of ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate (CID 167131117) is ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate.
What is the SMILES notation for ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate?
The canonical SMILES for ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate is CCOC(=O)C(CC(C)C)n1cc(CC)cc(F)c1=O.
What is the InChIKey of ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate?
The InChIKey is AGAWTTPFOODBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-5-11-8-12(16)14(18)17(9-11)13(7-10(3)4)15(19)20-6-2/h8-10,13H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate?
ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate has a molecular weight of 283.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-ethyl-3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate is sourced from PubChem (CID 167131117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).