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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Related Compounds

5,6-Bis(4-Fluorophenyl)pyridine-2,3-Diol
CID 71710917
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]ethan-1-one
CID 10357373
2(1H)-Pyridinone, 1-hydroxy-4,6-diphenyl-
CID 4370641
1-(diphenylmethyl)-1H-pyrrole-2,5-dione
CID 302278
N-triphenylmethylmaleimide
CID 301809
Sodium 2-oxo-4,6-diphenyl-1,2-dihydropyridin-1-olate
CID 23704906
1-Hydroxy-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 71452217
6-(4-Fluorophenyl)-1-hydroxy-4-methylpyridin-2-one
CID 134141479
6-(3-Fluorophenyl)-1-hydroxy-4-methylpyridin-2-one
CID 134147291
1-Benzyl-4-(2-fluorophenyl)-5-methylidenepyrrol-2-one
CID 155547427
(3Z)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylidene]pyrrol-2-one
CID 168297395
1-Benzyl-3,4-bis[(3-fluorophenyl)selanyl]pyrrole-2,5-dione
CID 178316182

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).