1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid

C8H8FNO3 — CID 90720834

IUPAC1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid
SMILESCCn1ccc(C(=O)O)c(F)c1=O
InChIInChI=1S/C8H8FNO3/c1-2-10-4-3-5(8(12)13)6(9)7(10)11/h3-4H,2H2,1H3,(H,12,13)
InChIKeyYTBGQMRANMACEG-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.71
Rot. Bonds2

About 1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid

1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid (PubChem CID 90720834) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid
PubChem CID90720834
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid
SMILESCCn1ccc(C(=O)O)c(F)c1=O
InChIInChI=1S/C8H8FNO3/c1-2-10-4-3-5(8(12)13)6(9)7(10)11/h3-4H,2H2,1H3,(H,12,13)
InChIKeyYTBGQMRANMACEG-UHFFFAOYSA-N
XLogP0.71
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid (CID 90720834) is 1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid is CCn1ccc(C(=O)O)c(F)c1=O.
What is the InChIKey of 1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid?
The InChIKey is YTBGQMRANMACEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-2-10-4-3-5(8(12)13)6(9)7(10)11/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid?
1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid has a molecular weight of 185.15 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 90720834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).