methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate

C14H10FNO4 — CID 58834996

IUPACmethyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C=O)c(F)n2)cc1
InChIInChI=1S/C14H10FNO4/c1-19-14(18)9-2-5-11(6-3-9)20-12-7-4-10(8-17)13(15)16-12/h2-8H,1H3
InChIKeyMXJBUQMEDWGOBP-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.61
Rot. Bonds4

About methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate

methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate (PubChem CID 58834996) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate
PubChem CID58834996
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Namemethyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C=O)c(F)n2)cc1
InChIInChI=1S/C14H10FNO4/c1-19-14(18)9-2-5-11(6-3-9)20-12-7-4-10(8-17)13(15)16-12/h2-8H,1H3
InChIKeyMXJBUQMEDWGOBP-UHFFFAOYSA-N
XLogP2.61
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate (CID 58834996) is methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate is COC(=O)c1ccc(Oc2ccc(C=O)c(F)n2)cc1.
What is the InChIKey of methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate?
The InChIKey is MXJBUQMEDWGOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c1-19-14(18)9-2-5-11(6-3-9)20-12-7-4-10(8-17)13(15)16-12/h2-8H,1H3.
What are the key properties of methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate?
methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate has a molecular weight of 275.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-fluoro-5-formyl-2-pyridinyl)oxy]benzoate is sourced from PubChem (CID 58834996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).