pyridin-3-yl 2,6-difluorobenzoate

C12H7F2NO2 — CID 2804114

IUPACpyridin-3-yl 2,6-difluorobenzoate
SMILESO=C(Oc1cccnc1)c1c(F)cccc1F
InChIInChI=1S/C12H7F2NO2/c13-9-4-1-5-10(14)11(9)12(16)17-8-3-2-6-15-7-8/h1-7H
InChIKeyHHQTXLXLLZMLPU-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.58
Rot. Bonds2

About pyridin-3-yl 2,6-difluorobenzoate

pyridin-3-yl 2,6-difluorobenzoate (PubChem CID 2804114) has the molecular formula C12H7F2NO2 and a molecular weight of 235.19 g/mol. Its IUPAC name is pyridin-3-yl 2,6-difluorobenzoate.

Molecular Properties

Compound Namepyridin-3-yl 2,6-difluorobenzoate
PubChem CID2804114
Molecular FormulaC12H7F2NO2
Molecular Weight235.19 g/mol
Exact Mass235.04
IUPAC Namepyridin-3-yl 2,6-difluorobenzoate
SMILESO=C(Oc1cccnc1)c1c(F)cccc1F
InChIInChI=1S/C12H7F2NO2/c13-9-4-1-5-10(14)11(9)12(16)17-8-3-2-6-15-7-8/h1-7H
InChIKeyHHQTXLXLLZMLPU-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 2,6-difluorobenzoate?
The IUPAC name of pyridin-3-yl 2,6-difluorobenzoate (CID 2804114) is pyridin-3-yl 2,6-difluorobenzoate.
What is the SMILES notation for pyridin-3-yl 2,6-difluorobenzoate?
The canonical SMILES for pyridin-3-yl 2,6-difluorobenzoate is O=C(Oc1cccnc1)c1c(F)cccc1F.
What is the InChIKey of pyridin-3-yl 2,6-difluorobenzoate?
The InChIKey is HHQTXLXLLZMLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2/c13-9-4-1-5-10(14)11(9)12(16)17-8-3-2-6-15-7-8/h1-7H.
What are the key properties of pyridin-3-yl 2,6-difluorobenzoate?
pyridin-3-yl 2,6-difluorobenzoate has a molecular weight of 235.19 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 2,6-difluorobenzoate is sourced from PubChem (CID 2804114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).