ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate

C15H16FNO4 — CID 67067576

IUPACethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H16FNO4/c1-2-21-15(20)13-12(18)7-8-17(14(13)19)9-10-3-5-11(16)6-4-10/h3-6,18H,2,7-9H2,1H3
InChIKeyADXBIGXEBWRVKT-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.93
Rot. Bonds4

About ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate

ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate (PubChem CID 67067576) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate
PubChem CID67067576
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Nameethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H16FNO4/c1-2-21-15(20)13-12(18)7-8-17(14(13)19)9-10-3-5-11(16)6-4-10/h3-6,18H,2,7-9H2,1H3
InChIKeyADXBIGXEBWRVKT-UHFFFAOYSA-N
XLogP1.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate (CID 67067576) is ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(O)CCN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate?
The InChIKey is ADXBIGXEBWRVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-2-21-15(20)13-12(18)7-8-17(14(13)19)9-10-3-5-11(16)6-4-10/h3-6,18H,2,7-9H2,1H3.
What are the key properties of ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate?
ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate has a molecular weight of 293.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 67067576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).