2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine

C14H14FNO3S — CID 1475677

IUPAC2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine
SMILESCc1cc(C)c(S(C)(=O)=O)c(Oc2ccc(F)cc2)n1
InChIInChI=1S/C14H14FNO3S/c1-9-8-10(2)16-14(13(9)20(3,17)18)19-12-6-4-11(15)5-7-12/h4-8H,1-3H3
InChIKeyIOZGIZNANBPDOB-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.03
Rot. Bonds3

About 2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine

2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine (PubChem CID 1475677) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine
PubChem CID1475677
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine
SMILESCc1cc(C)c(S(C)(=O)=O)c(Oc2ccc(F)cc2)n1
InChIInChI=1S/C14H14FNO3S/c1-9-8-10(2)16-14(13(9)20(3,17)18)19-12-6-4-11(15)5-7-12/h4-8H,1-3H3
InChIKeyIOZGIZNANBPDOB-UHFFFAOYSA-N
XLogP3.03
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine?
The IUPAC name of 2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine (CID 1475677) is 2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine.
What is the SMILES notation for 2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine?
The canonical SMILES for 2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine is Cc1cc(C)c(S(C)(=O)=O)c(Oc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine?
The InChIKey is IOZGIZNANBPDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-9-8-10(2)16-14(13(9)20(3,17)18)19-12-6-4-11(15)5-7-12/h4-8H,1-3H3.
What are the key properties of 2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine?
2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine has a molecular weight of 295.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-4,6-dimethyl-3-methylsulfonylpyridine is sourced from PubChem (CID 1475677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).