1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid

C15H14FNO3 — CID 14075299

IUPAC1-ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCCN1C(=CC(=O)C(=C1C2=CC=C(C=C2)F)C(=O)O)C
InChIInChI=1S/C15H14FNO3/c1-3-17-9(2)8-12(18)13(15(19)20)14(17)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeySPGCYJXALYETFJ-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.00
Rot. Bonds3

About 1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid

1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 14075299) has the molecular formula C15H14FNO3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID14075299
Molecular FormulaC15H14FNO3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name1-ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCCN1C(=CC(=O)C(=C1C2=CC=C(C=C2)F)C(=O)O)C
InChIInChI=1S/C15H14FNO3/c1-3-17-9(2)8-12(18)13(15(19)20)14(17)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeySPGCYJXALYETFJ-UHFFFAOYSA-N
XLogP3.00
TPSA57.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity487

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid (CID 14075299) is 1-ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid is CCN1C(=CC(=O)C(=C1C2=CC=C(C=C2)F)C(=O)O)C.
What is the InChIKey of 1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is SPGCYJXALYETFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-3-17-9(2)8-12(18)13(15(19)20)14(17)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of 1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 275.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 14075299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).