ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate

C14H11F2NO2 — CID 56590056

IUPACethyl 3,5-difluoro-2-pyridin-2-ylbenzoate
SMILESCCOC(=O)c1cc(F)cc(F)c1-c1ccccn1
InChIInChI=1S/C14H11F2NO2/c1-2-19-14(18)10-7-9(15)8-11(16)13(10)12-5-3-4-6-17-12/h3-8H,2H2,1H3
InChIKeyFXFYLNJKOOTSLW-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.20
Rot. Bonds3

About ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate

ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate (PubChem CID 56590056) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate.

Molecular Properties

Compound Nameethyl 3,5-difluoro-2-pyridin-2-ylbenzoate
PubChem CID56590056
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Nameethyl 3,5-difluoro-2-pyridin-2-ylbenzoate
SMILESCCOC(=O)c1cc(F)cc(F)c1-c1ccccn1
InChIInChI=1S/C14H11F2NO2/c1-2-19-14(18)10-7-9(15)8-11(16)13(10)12-5-3-4-6-17-12/h3-8H,2H2,1H3
InChIKeyFXFYLNJKOOTSLW-UHFFFAOYSA-N
XLogP3.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate?
The IUPAC name of ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate (CID 56590056) is ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate.
What is the SMILES notation for ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate?
The canonical SMILES for ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate is CCOC(=O)c1cc(F)cc(F)c1-c1ccccn1.
What is the InChIKey of ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate?
The InChIKey is FXFYLNJKOOTSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-2-19-14(18)10-7-9(15)8-11(16)13(10)12-5-3-4-6-17-12/h3-8H,2H2,1H3.
What are the key properties of ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate?
ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate has a molecular weight of 263.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate is sourced from PubChem (CID 56590056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).