1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one

C19H13F2NO2 — CID 102127617

IUPAC1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one
SMILESCC(=O)n1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C19H13F2NO2/c1-12(23)22-18(24)11-10-17(13-2-6-15(20)7-3-13)19(22)14-4-8-16(21)9-5-14/h2-11H,1H3
InChIKeyOLSOSGBFQPHGOQ-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.12
Rot. Bonds2

About 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one

1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one (PubChem CID 102127617) has the molecular formula C19H13F2NO2 and a molecular weight of 325.31 g/mol. Its IUPAC name is 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one
PubChem CID102127617
Molecular FormulaC19H13F2NO2
Molecular Weight325.31 g/mol
Exact Mass325.09
IUPAC Name1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one
SMILESCC(=O)n1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C19H13F2NO2/c1-12(23)22-18(24)11-10-17(13-2-6-15(20)7-3-13)19(22)14-4-8-16(21)9-5-14/h2-11H,1H3
InChIKeyOLSOSGBFQPHGOQ-UHFFFAOYSA-N
XLogP4.12
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one (CID 102127617) is 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one is CC(=O)n1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one?
The InChIKey is OLSOSGBFQPHGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO2/c1-12(23)22-18(24)11-10-17(13-2-6-15(20)7-3-13)19(22)14-4-8-16(21)9-5-14/h2-11H,1H3.
What are the key properties of 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one?
1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one has a molecular weight of 325.31 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 102127617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).