2-fluoro-2-pyrimidin-5-ylacetic acid

C6H5FN2O2 — CID 79366430

IUPAC2-fluoro-2-pyrimidin-5-ylacetic acid
SMILESO=C(O)C(F)c1cncnc1
InChIInChI=1S/C6H5FN2O2/c7-5(6(10)11)4-1-8-3-9-2-4/h1-3,5H,(H,10,11)
InChIKeyPHHAHGWWRWOXBO-UHFFFAOYSA-N
MW156.12 g/mol
LogP0.57
Rot. Bonds2

About 2-fluoro-2-pyrimidin-5-ylacetic acid

2-fluoro-2-pyrimidin-5-ylacetic acid (PubChem CID 79366430) has the molecular formula C6H5FN2O2 and a molecular weight of 156.12 g/mol. Its IUPAC name is 2-fluoro-2-pyrimidin-5-ylacetic acid.

Molecular Properties

Compound Name2-fluoro-2-pyrimidin-5-ylacetic acid
PubChem CID79366430
Molecular FormulaC6H5FN2O2
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Name2-fluoro-2-pyrimidin-5-ylacetic acid
SMILESO=C(O)C(F)c1cncnc1
InChIInChI=1S/C6H5FN2O2/c7-5(6(10)11)4-1-8-3-9-2-4/h1-3,5H,(H,10,11)
InChIKeyPHHAHGWWRWOXBO-UHFFFAOYSA-N
XLogP0.57
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-pyrimidin-5-ylacetic acid?
The IUPAC name of 2-fluoro-2-pyrimidin-5-ylacetic acid (CID 79366430) is 2-fluoro-2-pyrimidin-5-ylacetic acid.
What is the SMILES notation for 2-fluoro-2-pyrimidin-5-ylacetic acid?
The canonical SMILES for 2-fluoro-2-pyrimidin-5-ylacetic acid is O=C(O)C(F)c1cncnc1.
What is the InChIKey of 2-fluoro-2-pyrimidin-5-ylacetic acid?
The InChIKey is PHHAHGWWRWOXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2/c7-5(6(10)11)4-1-8-3-9-2-4/h1-3,5H,(H,10,11).
What are the key properties of 2-fluoro-2-pyrimidin-5-ylacetic acid?
2-fluoro-2-pyrimidin-5-ylacetic acid has a molecular weight of 156.12 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-pyrimidin-5-ylacetic acid is sourced from PubChem (CID 79366430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).