6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid

C16H16FNO3 — CID 24857786

IUPAC6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCc1c(C)cc(C(=O)O)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-3-14-10(2)8-13(16(20)21)15(19)18(14)9-11-4-6-12(17)7-5-11/h4-8H,3,9H2,1-2H3,(H,20,21)
InChIKeyHKDAEVFZWQZWOR-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.60
Rot. Bonds4

About 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid

6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 24857786) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID24857786
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCc1c(C)cc(C(=O)O)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-3-14-10(2)8-13(16(20)21)15(19)18(14)9-11-4-6-12(17)7-5-11/h4-8H,3,9H2,1-2H3,(H,20,21)
InChIKeyHKDAEVFZWQZWOR-UHFFFAOYSA-N
XLogP2.60
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid (CID 24857786) is 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid is CCc1c(C)cc(C(=O)O)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is HKDAEVFZWQZWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-3-14-10(2)8-13(16(20)21)15(19)18(14)9-11-4-6-12(17)7-5-11/h4-8H,3,9H2,1-2H3,(H,20,21).
What are the key properties of 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid?
6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 24857786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).