2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid

C6H5FN2O3 — CID 81296320

IUPAC2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid
SMILESO=C(O)C(F)n1cccnc1=O
InChIInChI=1S/C6H5FN2O3/c7-4(5(10)11)9-3-1-2-8-6(9)12/h1-4H,(H,10,11)
InChIKeyABIJLTSJOGBOCQ-UHFFFAOYSA-N
MW172.12 g/mol
LogP-0.20
Rot. Bonds2

About 2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid

2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid (PubChem CID 81296320) has the molecular formula C6H5FN2O3 and a molecular weight of 172.12 g/mol. Its IUPAC name is 2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid
PubChem CID81296320
Molecular FormulaC6H5FN2O3
Molecular Weight172.12 g/mol
Exact Mass172.03
IUPAC Name2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid
SMILESO=C(O)C(F)n1cccnc1=O
InChIInChI=1S/C6H5FN2O3/c7-4(5(10)11)9-3-1-2-8-6(9)12/h1-4H,(H,10,11)
InChIKeyABIJLTSJOGBOCQ-UHFFFAOYSA-N
XLogP-0.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid (CID 81296320) is 2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid is O=C(O)C(F)n1cccnc1=O.
What is the InChIKey of 2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid?
The InChIKey is ABIJLTSJOGBOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O3/c7-4(5(10)11)9-3-1-2-8-6(9)12/h1-4H,(H,10,11).
What are the key properties of 2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid?
2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid has a molecular weight of 172.12 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 81296320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).