methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C13H12FNO3 — CID 45378708

IUPACmethyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CNC(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3/c1-18-13(17)11-7-15-12(16)6-10(11)8-2-4-9(14)5-3-8/h2-5,7,10H,6H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyWLUPRPUBSXOSLV-JTQLQIEISA-N
MW249.24 g/mol
LogP1.49
Rot. Bonds2

About methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 45378708) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID45378708
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Namemethyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CNC(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3/c1-18-13(17)11-7-15-12(16)6-10(11)8-2-4-9(14)5-3-8/h2-5,7,10H,6H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyWLUPRPUBSXOSLV-JTQLQIEISA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 45378708) is methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=CNC(=O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is WLUPRPUBSXOSLV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12FNO3/c1-18-13(17)11-7-15-12(16)6-10(11)8-2-4-9(14)5-3-8/h2-5,7,10H,6H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 249.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 45378708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).