5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine

C9H11F2NO3S — CID 118464126

IUPAC5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine
SMILESCCc1ncc(OC(F)F)cc1S(C)(=O)=O
InChIInChI=1S/C9H11F2NO3S/c1-3-7-8(16(2,13)14)4-6(5-12-7)15-9(10)11/h4-5,9H,3H2,1-2H3
InChIKeyGAAPNOHGLJQMKP-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.65
Rot. Bonds4

About 5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine

5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine (PubChem CID 118464126) has the molecular formula C9H11F2NO3S and a molecular weight of 251.25 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine
PubChem CID118464126
Molecular FormulaC9H11F2NO3S
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC Name5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine
SMILESCCc1ncc(OC(F)F)cc1S(C)(=O)=O
InChIInChI=1S/C9H11F2NO3S/c1-3-7-8(16(2,13)14)4-6(5-12-7)15-9(10)11/h4-5,9H,3H2,1-2H3
InChIKeyGAAPNOHGLJQMKP-UHFFFAOYSA-N
XLogP1.65
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine?
The IUPAC name of 5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine (CID 118464126) is 5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine.
What is the SMILES notation for 5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine?
The canonical SMILES for 5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine is CCc1ncc(OC(F)F)cc1S(C)(=O)=O.
What is the InChIKey of 5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine?
The InChIKey is GAAPNOHGLJQMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3S/c1-3-7-8(16(2,13)14)4-6(5-12-7)15-9(10)11/h4-5,9H,3H2,1-2H3.
What are the key properties of 5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine?
5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine has a molecular weight of 251.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine is sourced from PubChem (CID 118464126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).