2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid

C12H9FN2O2 — CID 123801759

IUPAC2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid
SMILESO=C(O)Cc1c(F)cccc1-c1ncccn1
InChIInChI=1S/C12H9FN2O2/c13-10-4-1-3-8(9(10)7-11(16)17)12-14-5-2-6-15-12/h1-6H,7H2,(H,16,17)
InChIKeyZBNCQQSQMRKNRZ-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.91
Rot. Bonds3

About 2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid

2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid (PubChem CID 123801759) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid
PubChem CID123801759
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid
SMILESO=C(O)Cc1c(F)cccc1-c1ncccn1
InChIInChI=1S/C12H9FN2O2/c13-10-4-1-3-8(9(10)7-11(16)17)12-14-5-2-6-15-12/h1-6H,7H2,(H,16,17)
InChIKeyZBNCQQSQMRKNRZ-UHFFFAOYSA-N
XLogP1.91
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid?
The IUPAC name of 2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid (CID 123801759) is 2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid.
What is the SMILES notation for 2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid?
The canonical SMILES for 2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid is O=C(O)Cc1c(F)cccc1-c1ncccn1.
What is the InChIKey of 2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid?
The InChIKey is ZBNCQQSQMRKNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-10-4-1-3-8(9(10)7-11(16)17)12-14-5-2-6-15-12/h1-6H,7H2,(H,16,17).
What are the key properties of 2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid?
2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid has a molecular weight of 232.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-pyrimidin-2-ylphenyl)acetic acid is sourced from PubChem (CID 123801759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).