5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid

C15H14FNO3 — CID 67338937

IUPAC5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FNO3/c1-9(2)17-8-11(15(19)20)7-13(14(17)18)10-3-5-12(16)6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKeyRQFRLAGXEUBRIH-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.93
Rot. Bonds3

About 5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid

5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 67338937) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid
PubChem CID67338937
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FNO3/c1-9(2)17-8-11(15(19)20)7-13(14(17)18)10-3-5-12(16)6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKeyRQFRLAGXEUBRIH-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid (CID 67338937) is 5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid is CC(C)n1cc(C(=O)O)cc(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is RQFRLAGXEUBRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9(2)17-8-11(15(19)20)7-13(14(17)18)10-3-5-12(16)6-4-10/h3-9H,1-2H3,(H,19,20).
What are the key properties of 5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
5-(4-fluorophenyl)-6-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 5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 67338937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).