2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid

C6H4FNO3 — CID 119083732

IUPAC2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1F
InChIInChI=1S/C6H4FNO3/c7-5-3(6(10)11)1-2-4(9)8-5/h1-2H,(H,8,9)(H,10,11)
InChIKeyBJUPBAIIOBVDFQ-UHFFFAOYSA-N
MW157.10 g/mol
LogP0.21
Rot. Bonds1

About 2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid

2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 119083732) has the molecular formula C6H4FNO3 and a molecular weight of 157.10 g/mol. Its IUPAC name is 2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID119083732
Molecular FormulaC6H4FNO3
Molecular Weight157.10 g/mol
Exact Mass157.02
IUPAC Name2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1F
InChIInChI=1S/C6H4FNO3/c7-5-3(6(10)11)1-2-4(9)8-5/h1-2H,(H,8,9)(H,10,11)
InChIKeyBJUPBAIIOBVDFQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid (CID 119083732) is 2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)[nH]c1F.
What is the InChIKey of 2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is BJUPBAIIOBVDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO3/c7-5-3(6(10)11)1-2-4(9)8-5/h1-2H,(H,8,9)(H,10,11).
What are the key properties of 2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid?
2-fluoro-6-oxo-1H-pyridine-3-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 2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 119083732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).