3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid

C12H9FN2O4 — CID 113432163

IUPAC3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Oc1ncc(F)cn1
InChIInChI=1S/C12H9FN2O4/c1-18-9-3-2-7(11(16)17)4-10(9)19-12-14-5-8(13)6-15-12/h2-6H,1H3,(H,16,17)
InChIKeyFFGPSRFXGVPWRD-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.11
Rot. Bonds4

About 3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid

3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid (PubChem CID 113432163) has the molecular formula C12H9FN2O4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid
PubChem CID113432163
Molecular FormulaC12H9FN2O4
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Oc1ncc(F)cn1
InChIInChI=1S/C12H9FN2O4/c1-18-9-3-2-7(11(16)17)4-10(9)19-12-14-5-8(13)6-15-12/h2-6H,1H3,(H,16,17)
InChIKeyFFGPSRFXGVPWRD-UHFFFAOYSA-N
XLogP2.11
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid?
The IUPAC name of 3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid (CID 113432163) is 3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid.
What is the SMILES notation for 3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid?
The canonical SMILES for 3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1Oc1ncc(F)cn1.
What is the InChIKey of 3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid?
The InChIKey is FFGPSRFXGVPWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4/c1-18-9-3-2-7(11(16)17)4-10(9)19-12-14-5-8(13)6-15-12/h2-6H,1H3,(H,16,17).
What are the key properties of 3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid?
3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid has a molecular weight of 264.21 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid is sourced from PubChem (CID 113432163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).