methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate

C15H12FNO3 — CID 10934615

IUPACmethyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate
SMILESCOC(=O)C(C(=O)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c1-20-15(19)13(10-2-4-12(16)5-3-10)14(18)11-6-8-17-9-7-11/h2-9,13H,1H3
InChIKeyQBYVCFMDICKWSZ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.36
Rot. Bonds4

About methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate

methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate (PubChem CID 10934615) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate
PubChem CID10934615
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Namemethyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate
SMILESCOC(=O)C(C(=O)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c1-20-15(19)13(10-2-4-12(16)5-3-10)14(18)11-6-8-17-9-7-11/h2-9,13H,1H3
InChIKeyQBYVCFMDICKWSZ-UHFFFAOYSA-N
XLogP2.36
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate (CID 10934615) is methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate is COC(=O)C(C(=O)c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate?
The InChIKey is QBYVCFMDICKWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-20-15(19)13(10-2-4-12(16)5-3-10)14(18)11-6-8-17-9-7-11/h2-9,13H,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate?
methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate has a molecular weight of 273.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-oxo-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 10934615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).