2-ethyl-6-ethylsulfonyl-3-fluoropyridine

C9H12FNO2S — CID 90136153

IUPAC2-ethyl-6-ethylsulfonyl-3-fluoropyridine
SMILESCCc1nc(S(=O)(=O)CC)ccc1F
InChIInChI=1S/C9H12FNO2S/c1-3-8-7(10)5-6-9(11-8)14(12,13)4-2/h5-6H,3-4H2,1-2H3
InChIKeyULQMWZCEZNNSOH-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.58
Rot. Bonds3

About 2-ethyl-6-ethylsulfonyl-3-fluoropyridine

2-ethyl-6-ethylsulfonyl-3-fluoropyridine (PubChem CID 90136153) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-ethyl-6-ethylsulfonyl-3-fluoropyridine.

Molecular Properties

Compound Name2-ethyl-6-ethylsulfonyl-3-fluoropyridine
PubChem CID90136153
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name2-ethyl-6-ethylsulfonyl-3-fluoropyridine
SMILESCCc1nc(S(=O)(=O)CC)ccc1F
InChIInChI=1S/C9H12FNO2S/c1-3-8-7(10)5-6-9(11-8)14(12,13)4-2/h5-6H,3-4H2,1-2H3
InChIKeyULQMWZCEZNNSOH-UHFFFAOYSA-N
XLogP1.58
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-ethylsulfonyl-3-fluoropyridine?
The IUPAC name of 2-ethyl-6-ethylsulfonyl-3-fluoropyridine (CID 90136153) is 2-ethyl-6-ethylsulfonyl-3-fluoropyridine.
What is the SMILES notation for 2-ethyl-6-ethylsulfonyl-3-fluoropyridine?
The canonical SMILES for 2-ethyl-6-ethylsulfonyl-3-fluoropyridine is CCc1nc(S(=O)(=O)CC)ccc1F.
What is the InChIKey of 2-ethyl-6-ethylsulfonyl-3-fluoropyridine?
The InChIKey is ULQMWZCEZNNSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-3-8-7(10)5-6-9(11-8)14(12,13)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-6-ethylsulfonyl-3-fluoropyridine?
2-ethyl-6-ethylsulfonyl-3-fluoropyridine has a molecular weight of 217.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-ethylsulfonyl-3-fluoropyridine is sourced from PubChem (CID 90136153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).