3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid

C6H4FNO4 — CID 69020576

IUPAC3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)C(F)C=N1
InChIInChI=1S/C6H4FNO4/c7-2-1-8-3(6(11)12)5(10)4(2)9/h1-2,10H,(H,11,12)
InChIKeyPOXVBUIYGBKEAS-UHFFFAOYSA-N
MW173.10 g/mol
LogP-0.17
Rot. Bonds1

About 3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid

3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid (PubChem CID 69020576) has the molecular formula C6H4FNO4 and a molecular weight of 173.10 g/mol. Its IUPAC name is 3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
PubChem CID69020576
Molecular FormulaC6H4FNO4
Molecular Weight173.10 g/mol
Exact Mass173.01
IUPAC Name3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)C(F)C=N1
InChIInChI=1S/C6H4FNO4/c7-2-1-8-3(6(11)12)5(10)4(2)9/h1-2,10H,(H,11,12)
InChIKeyPOXVBUIYGBKEAS-UHFFFAOYSA-N
XLogP-0.17
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.10
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The IUPAC name of 3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid (CID 69020576) is 3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The canonical SMILES for 3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid is O=C(O)C1=C(O)C(=O)C(F)C=N1.
What is the InChIKey of 3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
The InChIKey is POXVBUIYGBKEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO4/c7-2-1-8-3(6(11)12)5(10)4(2)9/h1-2,10H,(H,11,12).
What are the key properties of 3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid?
3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid has a molecular weight of 173.10 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-hydroxy-4-oxo-3H-pyridine-6-carboxylic acid is sourced from PubChem (CID 69020576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).