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

C15H14FNO3 — CID 14075309

IUPAC1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1c(C)cc(=O)c(C(=O)O)c1-c1cccc(F)c1
InChIInChI=1S/C15H14FNO3/c1-3-17-9(2)7-12(18)13(15(19)20)14(17)10-5-4-6-11(16)8-10/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyJESSMERIJZEMDV-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.68
Rot. Bonds3

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

1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 14075309) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID14075309
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCCn1c(C)cc(=O)c(C(=O)O)c1-c1cccc(F)c1
InChIInChI=1S/C15H14FNO3/c1-3-17-9(2)7-12(18)13(15(19)20)14(17)10-5-4-6-11(16)8-10/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyJESSMERIJZEMDV-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid (CID 14075309) is 1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid is CCn1c(C)cc(=O)c(C(=O)O)c1-c1cccc(F)c1.
What is the InChIKey of 1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is JESSMERIJZEMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-3-17-9(2)7-12(18)13(15(19)20)14(17)10-5-4-6-11(16)8-10/h4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of 1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 14075309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).