[3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol

C16H18F2N2O4S — CID 134166751

IUPAC[3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(OCC(C)(F)F)c(CO)n1
InChIInChI=1S/C16H18F2N2O4S/c1-3-25(22,23)14-5-4-8-19-15(14)11-6-7-13(12(9-21)20-11)24-10-16(2,17)18/h4-8,21H,3,9-10H2,1-2H3
InChIKeySVEADXOHOBYECG-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.46
Rot. Bonds7

About [3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol

[3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol (PubChem CID 134166751) has the molecular formula C16H18F2N2O4S and a molecular weight of 372.39 g/mol. Its IUPAC name is [3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol
PubChem CID134166751
Molecular FormulaC16H18F2N2O4S
Molecular Weight372.39 g/mol
Exact Mass372.10
IUPAC Name[3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(OCC(C)(F)F)c(CO)n1
InChIInChI=1S/C16H18F2N2O4S/c1-3-25(22,23)14-5-4-8-19-15(14)11-6-7-13(12(9-21)20-11)24-10-16(2,17)18/h4-8,21H,3,9-10H2,1-2H3
InChIKeySVEADXOHOBYECG-UHFFFAOYSA-N
XLogP2.46
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol?
The IUPAC name of [3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol (CID 134166751) is [3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol is CCS(=O)(=O)c1cccnc1-c1ccc(OCC(C)(F)F)c(CO)n1.
What is the InChIKey of [3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol?
The InChIKey is SVEADXOHOBYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4S/c1-3-25(22,23)14-5-4-8-19-15(14)11-6-7-13(12(9-21)20-11)24-10-16(2,17)18/h4-8,21H,3,9-10H2,1-2H3.
What are the key properties of [3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol?
[3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol has a molecular weight of 372.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134166751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).