4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid

C13H12FNO3 — CID 68604553

IUPAC4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid
SMILESCN1C=C(C(=O)O)C(c2cccc(F)c2)CC1=O
InChIInChI=1S/C13H12FNO3/c1-15-7-11(13(17)18)10(6-12(15)16)8-3-2-4-9(14)5-8/h2-5,7,10H,6H2,1H3,(H,17,18)
InChIKeyVLHNNDFKBJEHPJ-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.74
Rot. Bonds2

About 4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid

4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid (PubChem CID 68604553) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid
PubChem CID68604553
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid
SMILESCN1C=C(C(=O)O)C(c2cccc(F)c2)CC1=O
InChIInChI=1S/C13H12FNO3/c1-15-7-11(13(17)18)10(6-12(15)16)8-3-2-4-9(14)5-8/h2-5,7,10H,6H2,1H3,(H,17,18)
InChIKeyVLHNNDFKBJEHPJ-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid (CID 68604553) is 4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid is CN1C=C(C(=O)O)C(c2cccc(F)c2)CC1=O.
What is the InChIKey of 4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
The InChIKey is VLHNNDFKBJEHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-15-7-11(13(17)18)10(6-12(15)16)8-3-2-4-9(14)5-8/h2-5,7,10H,6H2,1H3,(H,17,18).
What are the key properties of 4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid has a molecular weight of 249.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 68604553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).