3-fluoro-2-pyrimidin-5-yloxybenzoic acid

C11H7FN2O3 — CID 166131266

IUPAC3-fluoro-2-pyrimidin-5-yloxybenzoic acid
SMILESO=C(O)c1cccc(F)c1Oc1cncnc1
InChIInChI=1S/C11H7FN2O3/c12-9-3-1-2-8(11(15)16)10(9)17-7-4-13-6-14-5-7/h1-6H,(H,15,16)
InChIKeyBBJILDRHWAQPPH-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.11
Rot. Bonds3

About 3-fluoro-2-pyrimidin-5-yloxybenzoic acid

3-fluoro-2-pyrimidin-5-yloxybenzoic acid (PubChem CID 166131266) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 3-fluoro-2-pyrimidin-5-yloxybenzoic acid.

Molecular Properties

Compound Name3-fluoro-2-pyrimidin-5-yloxybenzoic acid
PubChem CID166131266
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name3-fluoro-2-pyrimidin-5-yloxybenzoic acid
SMILESO=C(O)c1cccc(F)c1Oc1cncnc1
InChIInChI=1S/C11H7FN2O3/c12-9-3-1-2-8(11(15)16)10(9)17-7-4-13-6-14-5-7/h1-6H,(H,15,16)
InChIKeyBBJILDRHWAQPPH-UHFFFAOYSA-N
XLogP2.11
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-pyrimidin-5-yloxybenzoic acid?
The IUPAC name of 3-fluoro-2-pyrimidin-5-yloxybenzoic acid (CID 166131266) is 3-fluoro-2-pyrimidin-5-yloxybenzoic acid.
What is the SMILES notation for 3-fluoro-2-pyrimidin-5-yloxybenzoic acid?
The canonical SMILES for 3-fluoro-2-pyrimidin-5-yloxybenzoic acid is O=C(O)c1cccc(F)c1Oc1cncnc1.
What is the InChIKey of 3-fluoro-2-pyrimidin-5-yloxybenzoic acid?
The InChIKey is BBJILDRHWAQPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-9-3-1-2-8(11(15)16)10(9)17-7-4-13-6-14-5-7/h1-6H,(H,15,16).
What are the key properties of 3-fluoro-2-pyrimidin-5-yloxybenzoic acid?
3-fluoro-2-pyrimidin-5-yloxybenzoic acid has a molecular weight of 234.19 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-pyrimidin-5-yloxybenzoic acid is sourced from PubChem (CID 166131266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).