pyridin-2-yl 4-fluorobenzoate

C12H8FNO2 — CID 3882357

IUPACpyridin-2-yl 4-fluorobenzoate
SMILESO=C(Oc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C12H8FNO2/c13-10-6-4-9(5-7-10)12(15)16-11-3-1-2-8-14-11/h1-8H
InChIKeySRNQEIBMKDWZKK-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.44
Rot. Bonds2

About pyridin-2-yl 4-fluorobenzoate

pyridin-2-yl 4-fluorobenzoate (PubChem CID 3882357) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is pyridin-2-yl 4-fluorobenzoate.

Molecular Properties

Compound Namepyridin-2-yl 4-fluorobenzoate
PubChem CID3882357
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Namepyridin-2-yl 4-fluorobenzoate
SMILESO=C(Oc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C12H8FNO2/c13-10-6-4-9(5-7-10)12(15)16-11-3-1-2-8-14-11/h1-8H
InChIKeySRNQEIBMKDWZKK-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

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl 4-fluorobenzoate?
The IUPAC name of pyridin-2-yl 4-fluorobenzoate (CID 3882357) is pyridin-2-yl 4-fluorobenzoate.
What is the SMILES notation for pyridin-2-yl 4-fluorobenzoate?
The canonical SMILES for pyridin-2-yl 4-fluorobenzoate is O=C(Oc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of pyridin-2-yl 4-fluorobenzoate?
The InChIKey is SRNQEIBMKDWZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-10-6-4-9(5-7-10)12(15)16-11-3-1-2-8-14-11/h1-8H.
What are the key properties of pyridin-2-yl 4-fluorobenzoate?
pyridin-2-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-2-yl 4-fluorobenzoate is sourced from PubChem (CID 3882357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).