1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid

C13H10FNO3 — CID 58158523

IUPAC1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H10FNO3/c1-8-6-11(13(17)18)12(16)15(7-8)10-4-2-9(14)3-5-10/h2-7H,1H3,(H,17,18)
InChIKeyGIQNJKXLSIEOME-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.98
Rot. Bonds2

About 1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid

1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 58158523) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID58158523
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H10FNO3/c1-8-6-11(13(17)18)12(16)15(7-8)10-4-2-9(14)3-5-10/h2-7H,1H3,(H,17,18)
InChIKeyGIQNJKXLSIEOME-UHFFFAOYSA-N
XLogP1.98
TPSA59.30 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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid (CID 58158523) is 1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is GIQNJKXLSIEOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-8-6-11(13(17)18)12(16)15(7-8)10-4-2-9(14)3-5-10/h2-7H,1H3,(H,17,18).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid?
1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 247.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58158523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).