2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid

C12H9FN2O3 — CID 117229820

IUPAC2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid
SMILESO=C(O)COc1cnc(-c2ccccc2F)nc1
InChIInChI=1S/C12H9FN2O3/c13-10-4-2-1-3-9(10)12-14-5-8(6-15-12)18-7-11(16)17/h1-6H,7H2,(H,16,17)
InChIKeySOALHAVUEOSPMU-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.75
Rot. Bonds4

About 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid

2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid (PubChem CID 117229820) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid
PubChem CID117229820
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid
SMILESO=C(O)COc1cnc(-c2ccccc2F)nc1
InChIInChI=1S/C12H9FN2O3/c13-10-4-2-1-3-9(10)12-14-5-8(6-15-12)18-7-11(16)17/h1-6H,7H2,(H,16,17)
InChIKeySOALHAVUEOSPMU-UHFFFAOYSA-N
XLogP1.75
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol
CID 117230582
2-[3-(2-fluorophenyl)phenoxy]acetic acid
CID 39349094
2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
CID 13015739
2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide
CID 16666417
2-phenoxyacetic acid;titanium
CID 174896747
3-[2-(2-fluorophenyl)-4-methoxypyrimidin-5-yl]propanoic acid
CID 117225530
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-[(3-fluoro-2-pyridinyl)oxy]acetic acid
CID 66975791
chloromethane;2-phenoxyacetic acid
CID 157255542
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275
2-[2-(3-propan-2-ylphenyl)pyrimidin-5-yl]oxyacetic acid
CID 146018732

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid (CID 117229820) is 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid is O=C(O)COc1cnc(-c2ccccc2F)nc1.
What is the InChIKey of 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid?
The InChIKey is SOALHAVUEOSPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-10-4-2-1-3-9(10)12-14-5-8(6-15-12)18-7-11(16)17/h1-6H,7H2,(H,16,17).
What are the key properties of 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid?
2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid has a molecular weight of 248.21 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid is sourced from PubChem (CID 117229820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).