2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one

C14H10F3NO2 — CID 164671928

IUPAC2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one
SMILESO=C(c1cccnc1)C(F)(F)C(O)c1ccc(F)cc1
InChIInChI=1S/C14H10F3NO2/c15-11-5-3-9(4-6-11)12(19)14(16,17)13(20)10-2-1-7-18-8-10/h1-8,12,19H
InChIKeyKVQGFAPGLIZLHB-UHFFFAOYSA-N
MW281.23 g/mol
LogP2.77
Rot. Bonds4

About 2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one

2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one (PubChem CID 164671928) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one
PubChem CID164671928
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one
SMILESO=C(c1cccnc1)C(F)(F)C(O)c1ccc(F)cc1
InChIInChI=1S/C14H10F3NO2/c15-11-5-3-9(4-6-11)12(19)14(16,17)13(20)10-2-1-7-18-8-10/h1-8,12,19H
InChIKeyKVQGFAPGLIZLHB-UHFFFAOYSA-N
XLogP2.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one?
The IUPAC name of 2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one (CID 164671928) is 2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one?
The canonical SMILES for 2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one is O=C(c1cccnc1)C(F)(F)C(O)c1ccc(F)cc1.
What is the InChIKey of 2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one?
The InChIKey is KVQGFAPGLIZLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-11-5-3-9(4-6-11)12(19)14(16,17)13(20)10-2-1-7-18-8-10/h1-8,12,19H.
What are the key properties of 2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one?
2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one has a molecular weight of 281.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 164671928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).