pyridin-3-yl 4-fluorobenzoate

C12H8FNO2 — CID 723536

IUPACpyridin-3-yl 4-fluorobenzoate
SMILESO=C(Oc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C12H8FNO2/c13-10-5-3-9(4-6-10)12(15)16-11-2-1-7-14-8-11/h1-8H
InChIKeyTWUPTGJQENPONL-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.44
Rot. Bonds2

About pyridin-3-yl 4-fluorobenzoate

pyridin-3-yl 4-fluorobenzoate (PubChem CID 723536) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is pyridin-3-yl 4-fluorobenzoate.

Molecular Properties

Compound Namepyridin-3-yl 4-fluorobenzoate
PubChem CID723536
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Namepyridin-3-yl 4-fluorobenzoate
SMILESO=C(Oc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C12H8FNO2/c13-10-5-3-9(4-6-10)12(15)16-11-2-1-7-14-8-11/h1-8H
InChIKeyTWUPTGJQENPONL-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyridin-3-yl 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 pyridin-3-yl 4-fluorobenzoate?
The IUPAC name of pyridin-3-yl 4-fluorobenzoate (CID 723536) is pyridin-3-yl 4-fluorobenzoate.
What is the SMILES notation for pyridin-3-yl 4-fluorobenzoate?
The canonical SMILES for pyridin-3-yl 4-fluorobenzoate is O=C(Oc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of pyridin-3-yl 4-fluorobenzoate?
The InChIKey is TWUPTGJQENPONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-10-5-3-9(4-6-10)12(15)16-11-2-1-7-14-8-11/h1-8H.
What are the key properties of pyridin-3-yl 4-fluorobenzoate?
pyridin-3-yl 4-fluorobenzoate has a molecular weight of 217.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 4-fluorobenzoate is sourced from PubChem (CID 723536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).