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

C12H9FN2O4 — CID 104606519

IUPAC2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2ncc(F)cn2)c1
InChIInChI=1S/C12H9FN2O4/c1-18-8-2-3-9(11(16)17)10(4-8)19-12-14-5-7(13)6-15-12/h2-6H,1H3,(H,16,17)
InChIKeyDCFLRINOZMBUGX-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.11
Rot. Bonds4

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

2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid (PubChem CID 104606519) has the molecular formula C12H9FN2O4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid
PubChem CID104606519
Molecular FormulaC12H9FN2O4
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2ncc(F)cn2)c1
InChIInChI=1S/C12H9FN2O4/c1-18-8-2-3-9(11(16)17)10(4-8)19-12-14-5-7(13)6-15-12/h2-6H,1H3,(H,16,17)
InChIKeyDCFLRINOZMBUGX-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 2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid (CID 104606519) is 2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(Oc2ncc(F)cn2)c1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid?
The InChIKey is DCFLRINOZMBUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4/c1-18-8-2-3-9(11(16)17)10(4-8)19-12-14-5-7(13)6-15-12/h2-6H,1H3,(H,16,17).
What are the key properties of 2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid?
2-(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 2-(5-fluoropyrimidin-2-yl)oxy-4-methoxybenzoic acid is sourced from PubChem (CID 104606519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).