ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate

C20H16FNO3 — CID 138973519

IUPACethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate
SMILESCCOC(=O)c1c(O)cc(-c2ccccc2)c(F)c1-c1ccccn1
InChIInChI=1S/C20H16FNO3/c1-2-25-20(24)18-16(23)12-14(13-8-4-3-5-9-13)19(21)17(18)15-10-6-7-11-22-15/h3-12,23H,2H2,1H3
InChIKeySZAALOHPWWSHHW-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.44
Rot. Bonds4

About ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate

ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate (PubChem CID 138973519) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate.

Molecular Properties

Compound Nameethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate
PubChem CID138973519
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Nameethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate
SMILESCCOC(=O)c1c(O)cc(-c2ccccc2)c(F)c1-c1ccccn1
InChIInChI=1S/C20H16FNO3/c1-2-25-20(24)18-16(23)12-14(13-8-4-3-5-9-13)19(21)17(18)15-10-6-7-11-22-15/h3-12,23H,2H2,1H3
InChIKeySZAALOHPWWSHHW-UHFFFAOYSA-N
XLogP4.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate?
The IUPAC name of ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate (CID 138973519) is ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate.
What is the SMILES notation for ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate?
The canonical SMILES for ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate is CCOC(=O)c1c(O)cc(-c2ccccc2)c(F)c1-c1ccccn1.
What is the InChIKey of ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate?
The InChIKey is SZAALOHPWWSHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-2-25-20(24)18-16(23)12-14(13-8-4-3-5-9-13)19(21)17(18)15-10-6-7-11-22-15/h3-12,23H,2H2,1H3.
What are the key properties of ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate?
ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate has a molecular weight of 337.35 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-6-hydroxy-4-phenyl-2-pyridin-2-ylbenzoate is sourced from PubChem (CID 138973519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).