ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate

C10H10FNO3 — CID 10330780

IUPACethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(F)C(=O)c1ccncc1
InChIInChI=1S/C10H10FNO3/c1-2-15-10(14)8(11)9(13)7-3-5-12-6-4-7/h3-6,8H,2H2,1H3
InChIKeyOFJCCPUVEJNLKP-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.17
Rot. Bonds4

About ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate

ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate (PubChem CID 10330780) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate
PubChem CID10330780
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Nameethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(F)C(=O)c1ccncc1
InChIInChI=1S/C10H10FNO3/c1-2-15-10(14)8(11)9(13)7-3-5-12-6-4-7/h3-6,8H,2H2,1H3
InChIKeyOFJCCPUVEJNLKP-UHFFFAOYSA-N
XLogP1.17
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
ethyl 2-fluoro-3-oxo-3-pyrimidin-4-ylpropanoate
CID 10059013
ethyl 2-fluoro-3-(3-fluoro-4-methylphenyl)-3-oxopropanoate
CID 88642220
ethyl (2R)-3-oxo-2-phenyldiazenyl-3-pyridin-4-ylpropanoate
CID 98572424
2-(pyridine-4-carbonyl)butanoic acid
CID 53419303
ethyl 4-(2,2-difluoroacetyl)benzoate
CID 11333639
ethyl 3-[4-bromo-3-(trifluoromethyl)phenyl]-2-fluoro-3-oxopropanoate
CID 19358354
ethyl carbonochloridate;pyridine-4-carboxylic acid
CID 174781214
ethyl 3-oxo-2-pyridin-4-ylbutanoate
CID 54340511
ethyl 2-methyl-3-pyridin-4-ylpropanoate
CID 22939399
4-amino-2-methyl-1-pyridin-4-ylbutan-1-one
CID 116916055
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate?
The IUPAC name of ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate (CID 10330780) is ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate.
What is the SMILES notation for ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate?
The canonical SMILES for ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate is CCOC(=O)C(F)C(=O)c1ccncc1.
What is the InChIKey of ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate?
The InChIKey is OFJCCPUVEJNLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-2-15-10(14)8(11)9(13)7-3-5-12-6-4-7/h3-6,8H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate?
ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate has a molecular weight of 211.19 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 10330780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).