5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid

C6H4FNO3 — CID 90645621

IUPAC5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(=O)[nH]1
InChIInChI=1S/C6H4FNO3/c7-3-1-2-4(6(10)11)8-5(3)9/h1-2H,(H,8,9)(H,10,11)
InChIKeyKHTTWFGNUPHEEZ-UHFFFAOYSA-N
MW157.10 g/mol
LogP0.21
Rot. Bonds1

About 5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid

5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 90645621) has the molecular formula C6H4FNO3 and a molecular weight of 157.10 g/mol. Its IUPAC name is 5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID90645621
Molecular FormulaC6H4FNO3
Molecular Weight157.10 g/mol
Exact Mass157.02
IUPAC Name5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(=O)[nH]1
InChIInChI=1S/C6H4FNO3/c7-3-1-2-4(6(10)11)8-5(3)9/h1-2H,(H,8,9)(H,10,11)
InChIKeyKHTTWFGNUPHEEZ-UHFFFAOYSA-N
XLogP0.21
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid (CID 90645621) is 5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1ccc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is KHTTWFGNUPHEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO3/c7-3-1-2-4(6(10)11)8-5(3)9/h1-2H,(H,8,9)(H,10,11).
What are the key properties of 5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid?
5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 157.10 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 90645621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).