1-fluoro-6-oxopyridine-2-carboxylic acid

C6H4FNO3 — CID 150843727

IUPAC1-fluoro-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(=O)n1F
InChIInChI=1S/C6H4FNO3/c7-8-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,10,11)
InChIKeyKONXSQRVQOOHOU-UHFFFAOYSA-N
MW157.10 g/mol
LogP0.28
Rot. Bonds1

About 1-fluoro-6-oxopyridine-2-carboxylic acid

1-fluoro-6-oxopyridine-2-carboxylic acid (PubChem CID 150843727) has the molecular formula C6H4FNO3 and a molecular weight of 157.10 g/mol. Its IUPAC name is 1-fluoro-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-6-oxopyridine-2-carboxylic acid
PubChem CID150843727
Molecular FormulaC6H4FNO3
Molecular Weight157.10 g/mol
Exact Mass157.02
IUPAC Name1-fluoro-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(=O)n1F
InChIInChI=1S/C6H4FNO3/c7-8-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,10,11)
InChIKeyKONXSQRVQOOHOU-UHFFFAOYSA-N
XLogP0.28
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-fluoro-6-oxopyridine-2-carboxylic acid (CID 150843727) is 1-fluoro-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-fluoro-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-fluoro-6-oxopyridine-2-carboxylic acid is O=C(O)c1cccc(=O)n1F.
What is the InChIKey of 1-fluoro-6-oxopyridine-2-carboxylic acid?
The InChIKey is KONXSQRVQOOHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO3/c7-8-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,10,11).
What are the key properties of 1-fluoro-6-oxopyridine-2-carboxylic acid?
1-fluoro-6-oxopyridine-2-carboxylic acid has a molecular weight of 157.10 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 150843727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).