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

C13H10FNO3 — CID 175918269

IUPAC2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid
SMILESCn1ccc(=O)c(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO3/c1-15-7-6-10(16)11(13(17)18)12(15)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,17,18)
InChIKeyOFENJDIHRZLNHI-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.89
Rot. Bonds2

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

2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 175918269) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID175918269
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid
SMILESCn1ccc(=O)c(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO3/c1-15-7-6-10(16)11(13(17)18)12(15)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,17,18)
InChIKeyOFENJDIHRZLNHI-UHFFFAOYSA-N
XLogP1.89
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid (CID 175918269) is 2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid is Cn1ccc(=O)c(C(=O)O)c1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is OFENJDIHRZLNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-15-7-6-10(16)11(13(17)18)12(15)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid?
2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 175918269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).