6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid

C15H14FNO3 — CID 82099792

IUPAC6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)n1c(-c2ccc(F)cc2)ccc(C(=O)O)c1=O
InChIInChI=1S/C15H14FNO3/c1-9(2)17-13(10-3-5-11(16)6-4-10)8-7-12(14(17)18)15(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeyDSFAEIZYQVOURH-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.93
Rot. Bonds3

About 6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid

6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 82099792) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
PubChem CID82099792
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)n1c(-c2ccc(F)cc2)ccc(C(=O)O)c1=O
InChIInChI=1S/C15H14FNO3/c1-9(2)17-13(10-3-5-11(16)6-4-10)8-7-12(14(17)18)15(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeyDSFAEIZYQVOURH-UHFFFAOYSA-N
XLogP2.93
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one
CID 82466922
6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one
CID 82519583
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
CID 82519475
6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
CID 146405807
6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbohydrazide
CID 82519493
2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
CID 82519501
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 82099701
3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 44754715
1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82099919
1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide
CID 82519615
5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 67338937
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
CID 82517919

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid (CID 82099792) is 6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid is CC(C)n1c(-c2ccc(F)cc2)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is DSFAEIZYQVOURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9(2)17-13(10-3-5-11(16)6-4-10)8-7-12(14(17)18)15(19)20/h3-9H,1-2H3,(H,19,20).
What are the key properties of 6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 82099792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).