3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one

C16H16FNO2 — CID 129014455

IUPAC3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one
SMILESCC(C)(C)C(=O)c1c[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H16FNO2/c1-16(2,3)15(20)13-9-18-8-12(14(13)19)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,18,19)
InChIKeyYCJJAHLUTADDMS-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.41
Rot. Bonds2

About 3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one

3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one (PubChem CID 129014455) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one
PubChem CID129014455
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one
SMILESCC(C)(C)C(=O)c1c[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H16FNO2/c1-16(2,3)15(20)13-9-18-8-12(14(13)19)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,18,19)
InChIKeyYCJJAHLUTADDMS-UHFFFAOYSA-N
XLogP3.41
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one (CID 129014455) is 3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one is CC(C)(C)C(=O)c1c[nH]cc(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one?
The InChIKey is YCJJAHLUTADDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-16(2,3)15(20)13-9-18-8-12(14(13)19)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,18,19).
What are the key properties of 3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one?
3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one has a molecular weight of 273.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-1H-pyridin-4-one is sourced from PubChem (CID 129014455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).