fluoro 6-oxo-1H-pyridine-2-carboxylate

C6H4FNO3 — CID 174852930

IUPACfluoro 6-oxo-1H-pyridine-2-carboxylate
SMILESO=C(OF)c1cccc(=O)[nH]1
InChIInChI=1S/C6H4FNO3/c7-11-6(10)4-2-1-3-5(9)8-4/h1-3H,(H,8,9)
InChIKeyVPVHHYPTCOONLP-UHFFFAOYSA-N
MW157.10 g/mol
LogP0.42
Rot. Bonds1

About fluoro 6-oxo-1H-pyridine-2-carboxylate

fluoro 6-oxo-1H-pyridine-2-carboxylate (PubChem CID 174852930) has the molecular formula C6H4FNO3 and a molecular weight of 157.10 g/mol. Its IUPAC name is fluoro 6-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namefluoro 6-oxo-1H-pyridine-2-carboxylate
PubChem CID174852930
Molecular FormulaC6H4FNO3
Molecular Weight157.10 g/mol
Exact Mass157.02
IUPAC Namefluoro 6-oxo-1H-pyridine-2-carboxylate
SMILESO=C(OF)c1cccc(=O)[nH]1
InChIInChI=1S/C6H4FNO3/c7-11-6(10)4-2-1-3-5(9)8-4/h1-3H,(H,8,9)
InChIKeyVPVHHYPTCOONLP-UHFFFAOYSA-N
XLogP0.42
TPSA59.16 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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 6-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of fluoro 6-oxo-1H-pyridine-2-carboxylate (CID 174852930) is fluoro 6-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for fluoro 6-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for fluoro 6-oxo-1H-pyridine-2-carboxylate is O=C(OF)c1cccc(=O)[nH]1.
What is the InChIKey of fluoro 6-oxo-1H-pyridine-2-carboxylate?
The InChIKey is VPVHHYPTCOONLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO3/c7-11-6(10)4-2-1-3-5(9)8-4/h1-3H,(H,8,9).
What are the key properties of fluoro 6-oxo-1H-pyridine-2-carboxylate?
fluoro 6-oxo-1H-pyridine-2-carboxylate has a molecular weight of 157.10 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 6-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 174852930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).