ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate

C9H10FNO3 — CID 81297157

IUPACethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)C(F)n1ccc(=O)cc1
InChIInChI=1S/C9H10FNO3/c1-2-14-9(13)8(10)11-5-3-7(12)4-6-11/h3-6,8H,2H2,1H3
InChIKeyLXQGUZZVVVHYJM-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.88
Rot. Bonds3

About ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate

ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate (PubChem CID 81297157) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate
PubChem CID81297157
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Nameethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)C(F)n1ccc(=O)cc1
InChIInChI=1S/C9H10FNO3/c1-2-14-9(13)8(10)11-5-3-7(12)4-6-11/h3-6,8H,2H2,1H3
InChIKeyLXQGUZZVVVHYJM-UHFFFAOYSA-N
XLogP0.88
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4,4-Trifluoro-3-oxo-but-1-enylamino)-acetic acid ethyl ester
CID 4346176
ethyl 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]acetate
CID 6075605
ethyl 2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]acetate
CID 15930964
1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyridin-4-one
CID 116622275
ethyl 2-(4-oxopyridin-1(4H)-yl)acetate
CID 12254000
Methyl 2-(4-oxo-1-pyridinyl)acetate
CID 15080691
ethyl 2-(4H-pyridin-1-yl)acetate
CID 58230626
Propan-2-yl 2-(4-oxo-1-pyridinyl)acetate
CID 62881182
ethyl (Z)-3-(dimethylamino)-2-(4-oxo-1-pyridinyl)prop-2-enoate
CID 117600789
ethyl 3-(dimethylamino)-2-(4-oxopyridin-1(4H)-yl)acrylate
CID 131732877
[(2R)-3,3-dimethylbutan-2-yl] 2-(4-oxo-1-pyridinyl)acetate
CID 132042545
[(1S)-1-iodoethyl] 2-(4-oxo-1-pyridinyl)acetate
CID 132050756

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate (CID 81297157) is ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate is CCOC(=O)C(F)n1ccc(=O)cc1.
What is the InChIKey of ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate?
The InChIKey is LXQGUZZVVVHYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-2-14-9(13)8(10)11-5-3-7(12)4-6-11/h3-6,8H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate?
ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate has a molecular weight of 199.18 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 81297157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).