6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one

C17H15F2NO2 — CID 153055474

IUPAC6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one
SMILESC#CCOc1cc(F)c(-c2ccc(C)c(=O)n2CC)c(F)c1
InChIInChI=1S/C17H15F2NO2/c1-4-8-22-12-9-13(18)16(14(19)10-12)15-7-6-11(3)17(21)20(15)5-2/h1,6-7,9-10H,5,8H2,2-3H3
InChIKeyNTVWGZHZHAFWQU-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.13
Rot. Bonds4

About 6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one

6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one (PubChem CID 153055474) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one.

Molecular Properties

Compound Name6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one
PubChem CID153055474
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one
SMILESC#CCOc1cc(F)c(-c2ccc(C)c(=O)n2CC)c(F)c1
InChIInChI=1S/C17H15F2NO2/c1-4-8-22-12-9-13(18)16(14(19)10-12)15-7-6-11(3)17(21)20(15)5-2/h1,6-7,9-10H,5,8H2,2-3H3
InChIKeyNTVWGZHZHAFWQU-UHFFFAOYSA-N
XLogP3.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one?
The IUPAC name of 6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one (CID 153055474) is 6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one.
What is the SMILES notation for 6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one?
The canonical SMILES for 6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one is C#CCOc1cc(F)c(-c2ccc(C)c(=O)n2CC)c(F)c1.
What is the InChIKey of 6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one?
The InChIKey is NTVWGZHZHAFWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-4-8-22-12-9-13(18)16(14(19)10-12)15-7-6-11(3)17(21)20(15)5-2/h1,6-7,9-10H,5,8H2,2-3H3.
What are the key properties of 6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one?
6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one has a molecular weight of 303.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one is sourced from PubChem (CID 153055474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).