1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one

C13H9F2NO3 — CID 18439303

IUPAC1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(-c2cc3c(c(F)c2F)OCO3)c1
InChIInChI=1S/C13H9F2NO3/c1-7-2-3-10(17)16(5-7)8-4-9-13(19-6-18-9)12(15)11(8)14/h2-5H,6H2,1H3
InChIKeyZAUALDWPYALAPL-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.15
Rot. Bonds1

About 1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one

1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one (PubChem CID 18439303) has the molecular formula C13H9F2NO3 and a molecular weight of 265.21 g/mol. Its IUPAC name is 1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one
PubChem CID18439303
Molecular FormulaC13H9F2NO3
Molecular Weight265.21 g/mol
Exact Mass265.06
IUPAC Name1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(-c2cc3c(c(F)c2F)OCO3)c1
InChIInChI=1S/C13H9F2NO3/c1-7-2-3-10(17)16(5-7)8-4-9-13(19-6-18-9)12(15)11(8)14/h2-5H,6H2,1H3
InChIKeyZAUALDWPYALAPL-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one?
The IUPAC name of 1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one (CID 18439303) is 1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one.
What is the SMILES notation for 1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one?
The canonical SMILES for 1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one is Cc1ccc(=O)n(-c2cc3c(c(F)c2F)OCO3)c1.
What is the InChIKey of 1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one?
The InChIKey is ZAUALDWPYALAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c1-7-2-3-10(17)16(5-7)8-4-9-13(19-6-18-9)12(15)11(8)14/h2-5H,6H2,1H3.
What are the key properties of 1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one?
1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one has a molecular weight of 265.21 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one is sourced from PubChem (CID 18439303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).