4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid

C12H8FNO3 — CID 59625876

IUPAC4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2cccc(F)n2)cc1
InChIInChI=1S/C12H8FNO3/c13-10-2-1-3-11(14-10)17-9-6-4-8(5-7-9)12(15)16/h1-7H,(H,15,16)
InChIKeyBRXMYPPBWUQOLB-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.71
Rot. Bonds3

About 4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid

4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid (PubChem CID 59625876) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is 4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid
PubChem CID59625876
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC Name4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2cccc(F)n2)cc1
InChIInChI=1S/C12H8FNO3/c13-10-2-1-3-11(14-10)17-9-6-4-8(5-7-9)12(15)16/h1-7H,(H,15,16)
InChIKeyBRXMYPPBWUQOLB-UHFFFAOYSA-N
XLogP2.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid (CID 59625876) is 4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid is O=C(O)c1ccc(Oc2cccc(F)n2)cc1.
What is the InChIKey of 4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid?
The InChIKey is BRXMYPPBWUQOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-10-2-1-3-11(14-10)17-9-6-4-8(5-7-9)12(15)16/h1-7H,(H,15,16).
What are the key properties of 4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid?
4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid has a molecular weight of 233.20 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 59625876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).