3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one

C14H11F2NO2 — CID 72712864

IUPAC3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one
SMILESCC(=O)c1cc(Cc2c(F)cccc2F)c[nH]c1=O
InChIInChI=1S/C14H11F2NO2/c1-8(18)10-5-9(7-17-14(10)19)6-11-12(15)3-2-4-13(11)16/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyLUAAZONYIYXFLM-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.45
Rot. Bonds3

About 3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one

3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one (PubChem CID 72712864) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one
PubChem CID72712864
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one
SMILESCC(=O)c1cc(Cc2c(F)cccc2F)c[nH]c1=O
InChIInChI=1S/C14H11F2NO2/c1-8(18)10-5-9(7-17-14(10)19)6-11-12(15)3-2-4-13(11)16/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyLUAAZONYIYXFLM-UHFFFAOYSA-N
XLogP2.45
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one (CID 72712864) is 3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one is CC(=O)c1cc(Cc2c(F)cccc2F)c[nH]c1=O.
What is the InChIKey of 3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one?
The InChIKey is LUAAZONYIYXFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-8(18)10-5-9(7-17-14(10)19)6-11-12(15)3-2-4-13(11)16/h2-5,7H,6H2,1H3,(H,17,19).
What are the key properties of 3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one?
3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one has a molecular weight of 263.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 72712864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).