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

C7H6FNO3 — CID 81298694

IUPAC2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)C(F)n1ccccc1=O
InChIInChI=1S/C7H6FNO3/c8-6(7(11)12)9-4-2-1-3-5(9)10/h1-4,6H,(H,11,12)
InChIKeyZIJMOPDHLPQOOQ-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.40
Rot. Bonds2

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

2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid (PubChem CID 81298694) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid
PubChem CID81298694
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)C(F)n1ccccc1=O
InChIInChI=1S/C7H6FNO3/c8-6(7(11)12)9-4-2-1-3-5(9)10/h1-4,6H,(H,11,12)
InChIKeyZIJMOPDHLPQOOQ-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 565316
2-(4-Bromo-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 118877896
2-[2-Oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetic acid
CID 17535105
2-(3-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 39103283
2-(5-Iodo-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 18539441
2-[2-Oxo-6-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 81319986
2-(5-Fluoro-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 82146597
6-Oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-2-carboxylic acid
CID 86277098
1-(Difluoromethyl)-6-oxo-1,6-dihydropyridine-2-carboxylic acid
CID 118693982
2-[2-Oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 132372717
2-[3-(Difluoromethyl)-2-oxopyridin-1-yl]acetic acid
CID 142458900
5-Chloro-2-oxo-1(2H)-pyridineacetic acid
CID 4092767

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid (CID 81298694) is 2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid is O=C(O)C(F)n1ccccc1=O.
What is the InChIKey of 2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid?
The InChIKey is ZIJMOPDHLPQOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-6(7(11)12)9-4-2-1-3-5(9)10/h1-4,6H,(H,11,12).
What are the key properties of 2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid?
2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid has a molecular weight of 171.13 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 81298694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).