4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one

C19H16F2N2O3 — CID 22051127

IUPAC4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2F)cc(CO)n1Cc1cccnc1
InChIInChI=1S/C19H16F2N2O3/c20-15-4-3-14(18(21)6-15)12-26-17-7-16(11-24)23(19(25)8-17)10-13-2-1-5-22-9-13/h1-9,24H,10-12H2
InChIKeyWJQHVDALFUOTDG-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.64
Rot. Bonds6

About 4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 22051127) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
PubChem CID22051127
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2F)cc(CO)n1Cc1cccnc1
InChIInChI=1S/C19H16F2N2O3/c20-15-4-3-14(18(21)6-15)12-26-17-7-16(11-24)23(19(25)8-17)10-13-2-1-5-22-9-13/h1-9,24H,10-12H2
InChIKeyWJQHVDALFUOTDG-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one (CID 22051127) is 4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one is O=c1cc(OCc2ccc(F)cc2F)cc(CO)n1Cc1cccnc1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is WJQHVDALFUOTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c20-15-4-3-14(18(21)6-15)12-26-17-7-16(11-24)23(19(25)8-17)10-13-2-1-5-22-9-13/h1-9,24H,10-12H2.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 358.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 22051127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).