2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine

C16H18F2N2O4S — CID 134166743

IUPAC2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine
SMILESCCS(=O)(=O)c1ccc(OC)nc1-c1ccc(OCC(C)(F)F)cn1
InChIInChI=1S/C16H18F2N2O4S/c1-4-25(21,22)13-7-8-14(23-3)20-15(13)12-6-5-11(9-19-12)24-10-16(2,17)18/h5-9H,4,10H2,1-3H3
InChIKeyQYSQGSGUMXTAKC-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.98
Rot. Bonds7

About 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine

2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine (PubChem CID 134166743) has the molecular formula C16H18F2N2O4S and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine.

Molecular Properties

Compound Name2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine
PubChem CID134166743
Molecular FormulaC16H18F2N2O4S
Molecular Weight372.39 g/mol
Exact Mass372.10
IUPAC Name2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine
SMILESCCS(=O)(=O)c1ccc(OC)nc1-c1ccc(OCC(C)(F)F)cn1
InChIInChI=1S/C16H18F2N2O4S/c1-4-25(21,22)13-7-8-14(23-3)20-15(13)12-6-5-11(9-19-12)24-10-16(2,17)18/h5-9H,4,10H2,1-3H3
InChIKeyQYSQGSGUMXTAKC-UHFFFAOYSA-N
XLogP2.98
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine?
The IUPAC name of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine (CID 134166743) is 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine.
What is the SMILES notation for 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine?
The canonical SMILES for 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine is CCS(=O)(=O)c1ccc(OC)nc1-c1ccc(OCC(C)(F)F)cn1.
What is the InChIKey of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine?
The InChIKey is QYSQGSGUMXTAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4S/c1-4-25(21,22)13-7-8-14(23-3)20-15(13)12-6-5-11(9-19-12)24-10-16(2,17)18/h5-9H,4,10H2,1-3H3.
What are the key properties of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine?
2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine has a molecular weight of 372.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-6-methoxypyridine is sourced from PubChem (CID 134166743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).