methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate

C13H10FNO3 — CID 66489830

IUPACmethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C13H10FNO3/c1-18-13(17)10-6-7-11(15-12(10)16)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyYEVGBEQKHJFPHL-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.97
Rot. Bonds2

About methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate

methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 66489830) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID66489830
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Namemethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C13H10FNO3/c1-18-13(17)10-6-7-11(15-12(10)16)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyYEVGBEQKHJFPHL-UHFFFAOYSA-N
XLogP1.97
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 18324387
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162
N-(2-ethylphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497727
methyl 4-amino-2-(4-fluorophenyl)benzoate
CID 18476027
N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491034
6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1H-pyridin-2-one
CID 82519671
N-(5-chloro-2-methylphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497756
N-(2-bromophenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497775
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497668
methyl 6-(2,2-dimethylpropyl)-2-oxo-1H-pyridine-3-carboxylate
CID 23455346
6-(4-chlorophenyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 66497750

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate (CID 66489830) is methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate is COC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is YEVGBEQKHJFPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-18-13(17)10-6-7-11(15-12(10)16)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 247.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 66489830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).