(2-pyridin-2-ylphenyl) 4-fluorobenzoate

C18H12FNO2 — CID 86072265

IUPAC(2-pyridin-2-ylphenyl) 4-fluorobenzoate
SMILESO=C(Oc1ccccc1-c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C18H12FNO2/c19-14-10-8-13(9-11-14)18(21)22-17-7-2-1-5-15(17)16-6-3-4-12-20-16/h1-12H
InChIKeyXWNDPWFYADMBOB-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.11
Rot. Bonds3

About (2-pyridin-2-ylphenyl) 4-fluorobenzoate

(2-pyridin-2-ylphenyl) 4-fluorobenzoate (PubChem CID 86072265) has the molecular formula C18H12FNO2 and a molecular weight of 293.30 g/mol. Its IUPAC name is (2-pyridin-2-ylphenyl) 4-fluorobenzoate.

Molecular Properties

Compound Name(2-pyridin-2-ylphenyl) 4-fluorobenzoate
PubChem CID86072265
Molecular FormulaC18H12FNO2
Molecular Weight293.30 g/mol
Exact Mass293.09
IUPAC Name(2-pyridin-2-ylphenyl) 4-fluorobenzoate
SMILESO=C(Oc1ccccc1-c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C18H12FNO2/c19-14-10-8-13(9-11-14)18(21)22-17-7-2-1-5-15(17)16-6-3-4-12-20-16/h1-12H
InChIKeyXWNDPWFYADMBOB-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-pyridin-2-ylphenyl) 4-fluorobenzoate 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 (2-pyridin-2-ylphenyl) 4-fluorobenzoate?
The IUPAC name of (2-pyridin-2-ylphenyl) 4-fluorobenzoate (CID 86072265) is (2-pyridin-2-ylphenyl) 4-fluorobenzoate.
What is the SMILES notation for (2-pyridin-2-ylphenyl) 4-fluorobenzoate?
The canonical SMILES for (2-pyridin-2-ylphenyl) 4-fluorobenzoate is O=C(Oc1ccccc1-c1ccccn1)c1ccc(F)cc1.
What is the InChIKey of (2-pyridin-2-ylphenyl) 4-fluorobenzoate?
The InChIKey is XWNDPWFYADMBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO2/c19-14-10-8-13(9-11-14)18(21)22-17-7-2-1-5-15(17)16-6-3-4-12-20-16/h1-12H.
What are the key properties of (2-pyridin-2-ylphenyl) 4-fluorobenzoate?
(2-pyridin-2-ylphenyl) 4-fluorobenzoate has a molecular weight of 293.30 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-ylphenyl) 4-fluorobenzoate is sourced from PubChem (CID 86072265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).