1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid

C8H8FNO3 — CID 44600737

IUPAC1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCF)c(=O)c1
InChIInChI=1S/C8H8FNO3/c9-2-4-10-3-1-6(8(12)13)5-7(10)11/h1,3,5H,2,4H2,(H,12,13)
InChIKeyQKRXOLYDYPGVFG-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.52
Rot. Bonds3

About 1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid

1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid (PubChem CID 44600737) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid
PubChem CID44600737
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCF)c(=O)c1
InChIInChI=1S/C8H8FNO3/c9-2-4-10-3-1-6(8(12)13)5-7(10)11/h1,3,5H,2,4H2,(H,12,13)
InChIKeyQKRXOLYDYPGVFG-UHFFFAOYSA-N
XLogP0.52
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid (CID 44600737) is 1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccn(CCF)c(=O)c1.
What is the InChIKey of 1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is QKRXOLYDYPGVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c9-2-4-10-3-1-6(8(12)13)5-7(10)11/h1,3,5H,2,4H2,(H,12,13).
What are the key properties of 1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid?
1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 185.15 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 44600737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).