6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one

C18H19F3N2O6 — CID 164856275

IUPAC6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESCOc1cc(OC[C@H]2COCCO2)cc(-c2ccc(OCC(F)(F)F)c(=O)[nH]2)n1
InChIInChI=1S/C18H19F3N2O6/c1-25-16-7-11(28-9-12-8-26-4-5-27-12)6-14(22-16)13-2-3-15(17(24)23-13)29-10-18(19,20)21/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,23,24)/t12-/m1/s1
InChIKeyJJCYAEYQEZSIKY-GFCCVEGCSA-N
MW416.35 g/mol
LogP2.18
Rot. Bonds7

About 6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one

6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one (PubChem CID 164856275) has the molecular formula C18H19F3N2O6 and a molecular weight of 416.35 g/mol. Its IUPAC name is 6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
PubChem CID164856275
Molecular FormulaC18H19F3N2O6
Molecular Weight416.35 g/mol
Exact Mass416.12
IUPAC Name6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESCOc1cc(OC[C@H]2COCCO2)cc(-c2ccc(OCC(F)(F)F)c(=O)[nH]2)n1
InChIInChI=1S/C18H19F3N2O6/c1-25-16-7-11(28-9-12-8-26-4-5-27-12)6-14(22-16)13-2-3-15(17(24)23-13)29-10-18(19,20)21/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,23,24)/t12-/m1/s1
InChIKeyJJCYAEYQEZSIKY-GFCCVEGCSA-N
XLogP2.18
TPSA91.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The IUPAC name of 6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one (CID 164856275) is 6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The canonical SMILES for 6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one is COc1cc(OC[C@H]2COCCO2)cc(-c2ccc(OCC(F)(F)F)c(=O)[nH]2)n1.
What is the InChIKey of 6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The InChIKey is JJCYAEYQEZSIKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N2O6/c1-25-16-7-11(28-9-12-8-26-4-5-27-12)6-14(22-16)13-2-3-15(17(24)23-13)29-10-18(19,20)21/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,23,24)/t12-/m1/s1.
What are the key properties of 6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one has a molecular weight of 416.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 164856275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).