methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate

C14H14FNO3 — CID 20776374

IUPACmethyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(c2ccc(F)cc2)CCN(C)C1=O
InChIInChI=1S/C14H14FNO3/c1-16-8-7-11(9-3-5-10(15)6-4-9)12(13(16)17)14(18)19-2/h3-6H,7-8H2,1-2H3
InChIKeyLYNVAQZVACOFMQ-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.61
Rot. Bonds2

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

methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate (PubChem CID 20776374) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate
PubChem CID20776374
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Namemethyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(c2ccc(F)cc2)CCN(C)C1=O
InChIInChI=1S/C14H14FNO3/c1-16-8-7-11(9-3-5-10(15)6-4-9)12(13(16)17)14(18)19-2/h3-6H,7-8H2,1-2H3
InChIKeyLYNVAQZVACOFMQ-UHFFFAOYSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate (CID 20776374) is methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate is COC(=O)C1=C(c2ccc(F)cc2)CCN(C)C1=O.
What is the InChIKey of methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate?
The InChIKey is LYNVAQZVACOFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-16-8-7-11(9-3-5-10(15)6-4-9)12(13(16)17)14(18)19-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate?
methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 20776374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).