methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate

C13H10FNO3 — CID 68998985

IUPACmethyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2cccc(F)n2)cc1
InChIInChI=1S/C13H10FNO3/c1-17-13(16)9-5-7-10(8-6-9)18-12-4-2-3-11(14)15-12/h2-8H,1H3
InChIKeyITNXMVRQLLJTHA-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.80
Rot. Bonds3

About methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate

methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate (PubChem CID 68998985) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate
PubChem CID68998985
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Namemethyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2cccc(F)n2)cc1
InChIInChI=1S/C13H10FNO3/c1-17-13(16)9-5-7-10(8-6-9)18-12-4-2-3-11(14)15-12/h2-8H,1H3
InChIKeyITNXMVRQLLJTHA-UHFFFAOYSA-N
XLogP2.80
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate (CID 68998985) is methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate is COC(=O)c1ccc(Oc2cccc(F)n2)cc1.
What is the InChIKey of methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate?
The InChIKey is ITNXMVRQLLJTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-17-13(16)9-5-7-10(8-6-9)18-12-4-2-3-11(14)15-12/h2-8H,1H3.
What are the key properties of methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate?
methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate has a molecular weight of 247.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-fluoro-2-pyridinyl)oxy]benzoate is sourced from PubChem (CID 68998985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).