1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

C13H11F2NO2 — CID 154453995

IUPAC1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1OCc1ccc(F)cc1F
InChIInChI=1S/C13H11F2NO2/c1-9-3-2-4-13(17)16(9)18-8-10-5-6-11(14)7-12(10)15/h2-7H,8H2,1H3
InChIKeyAJLNRFKCGBXMRY-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.06
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 154453995) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID154453995
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1OCc1ccc(F)cc1F
InChIInChI=1S/C13H11F2NO2/c1-9-3-2-4-13(17)16(9)18-8-10-5-6-11(14)7-12(10)15/h2-7H,8H2,1H3
InChIKeyAJLNRFKCGBXMRY-UHFFFAOYSA-N
XLogP2.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (CID 154453995) is 1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is Cc1cccc(=O)n1OCc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is AJLNRFKCGBXMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-9-3-2-4-13(17)16(9)18-8-10-5-6-11(14)7-12(10)15/h2-7H,8H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 251.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 154453995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).