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

C14H20FNO3 — CID 139579632

IUPACethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)n1cc(F)c(C)cc1=O
InChIInChI=1S/C14H20FNO3/c1-5-19-14(18)12(6-9(2)3)16-8-11(15)10(4)7-13(16)17/h7-9,12H,5-6H2,1-4H3
InChIKeyZXPVCNUXTAAXSK-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.45
Rot. Bonds5

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

ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate (PubChem CID 139579632) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate
PubChem CID139579632
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)n1cc(F)c(C)cc1=O
InChIInChI=1S/C14H20FNO3/c1-5-19-14(18)12(6-9(2)3)16-8-11(15)10(4)7-13(16)17/h7-9,12H,5-6H2,1-4H3
InChIKeyZXPVCNUXTAAXSK-UHFFFAOYSA-N
XLogP2.45
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate?
The IUPAC name of ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate (CID 139579632) is ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate.
What is the SMILES notation for ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate?
The canonical SMILES for ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate is CCOC(=O)C(CC(C)C)n1cc(F)c(C)cc1=O.
What is the InChIKey of ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate?
The InChIKey is ZXPVCNUXTAAXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-5-19-14(18)12(6-9(2)3)16-8-11(15)10(4)7-13(16)17/h7-9,12H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate?
ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate has a molecular weight of 269.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate is sourced from PubChem (CID 139579632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).