2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid

C7H6FNO3 — CID 167860992

IUPAC2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)Cn1cccc(F)c1=O
InChIInChI=1S/C7H6FNO3/c8-5-2-1-3-9(7(5)12)4-6(10)11/h1-3H,4H2,(H,10,11)
InChIKeyOUQPKCPZDFTJJP-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.07
Rot. Bonds2

About 2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid

2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid (PubChem CID 167860992) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid
PubChem CID167860992
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)Cn1cccc(F)c1=O
InChIInChI=1S/C7H6FNO3/c8-5-2-1-3-9(7(5)12)4-6(10)11/h1-3H,4H2,(H,10,11)
InChIKeyOUQPKCPZDFTJJP-UHFFFAOYSA-N
XLogP0.07
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid (CID 167860992) is 2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid is O=C(O)Cn1cccc(F)c1=O.
What is the InChIKey of 2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is OUQPKCPZDFTJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-5-2-1-3-9(7(5)12)4-6(10)11/h1-3H,4H2,(H,10,11).
What are the key properties of 2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid?
2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 171.13 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 167860992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).