6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

C13H10FNO3 — CID 114872883

IUPAC6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C13H10FNO3/c1-7-5-10(13(17)18)12(16)15-11(7)8-3-2-4-9(14)6-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyIIIZLNCBYQPIOH-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.19
Rot. Bonds2

About 6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 114872883) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID114872883
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C13H10FNO3/c1-7-5-10(13(17)18)12(16)15-11(7)8-3-2-4-9(14)6-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyIIIZLNCBYQPIOH-UHFFFAOYSA-N
XLogP2.19
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 114872883) is 6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(=O)[nH]c1-c1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is IIIZLNCBYQPIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-7-5-10(13(17)18)12(16)15-11(7)8-3-2-4-9(14)6-8/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 247.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 114872883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).