3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one

C15H16F2N2O4S — CID 134166750

IUPAC3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(OCC(C)(F)F)c(=O)[nH]1
InChIInChI=1S/C15H16F2N2O4S/c1-3-24(21,22)12-5-4-8-18-13(12)10-6-7-11(14(20)19-10)23-9-15(2,16)17/h4-8H,3,9H2,1-2H3,(H,19,20)
InChIKeyZSDOPUXGVUJINR-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.26
Rot. Bonds6

About 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one

3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one (PubChem CID 134166750) has the molecular formula C15H16F2N2O4S and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one
PubChem CID134166750
Molecular FormulaC15H16F2N2O4S
Molecular Weight358.37 g/mol
Exact Mass358.08
IUPAC Name3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(OCC(C)(F)F)c(=O)[nH]1
InChIInChI=1S/C15H16F2N2O4S/c1-3-24(21,22)12-5-4-8-18-13(12)10-6-7-11(14(20)19-10)23-9-15(2,16)17/h4-8H,3,9H2,1-2H3,(H,19,20)
InChIKeyZSDOPUXGVUJINR-UHFFFAOYSA-N
XLogP2.26
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one (CID 134166750) is 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one is CCS(=O)(=O)c1cccnc1-c1ccc(OCC(C)(F)F)c(=O)[nH]1.
What is the InChIKey of 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one?
The InChIKey is ZSDOPUXGVUJINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4S/c1-3-24(21,22)12-5-4-8-18-13(12)10-6-7-11(14(20)19-10)23-9-15(2,16)17/h4-8H,3,9H2,1-2H3,(H,19,20).
What are the key properties of 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one?
3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one has a molecular weight of 358.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-1H-pyridin-2-one is sourced from PubChem (CID 134166750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).