5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one

C15H13BrFNO2 — CID 58110691

IUPAC5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
SMILESCC(=O)c1cc(Br)c(=O)n([C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H13BrFNO2/c1-9(11-3-5-13(17)6-4-11)18-8-12(10(2)19)7-14(16)15(18)20/h3-9H,1-2H3/t9-/m0/s1
InChIKeyRRVYKRNRAUHSJO-VIFPVBQESA-N
MW338.18 g/mol
LogP3.56
Rot. Bonds3

About 5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one

5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one (PubChem CID 58110691) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
PubChem CID58110691
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
SMILESCC(=O)c1cc(Br)c(=O)n([C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H13BrFNO2/c1-9(11-3-5-13(17)6-4-11)18-8-12(10(2)19)7-14(16)15(18)20/h3-9H,1-2H3/t9-/m0/s1
InChIKeyRRVYKRNRAUHSJO-VIFPVBQESA-N
XLogP3.56
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
The IUPAC name of 5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one (CID 58110691) is 5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
The canonical SMILES for 5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one is CC(=O)c1cc(Br)c(=O)n([C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of 5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
The InChIKey is RRVYKRNRAUHSJO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-9(11-3-5-13(17)6-4-11)18-8-12(10(2)19)7-14(16)15(18)20/h3-9H,1-2H3/t9-/m0/s1.
What are the key properties of 5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one has a molecular weight of 338.18 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one is sourced from PubChem (CID 58110691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).