2-ethyl-3-fluoro-6-propylsulfonylpyridine

C10H14FNO2S — CID 91260123

IUPAC2-ethyl-3-fluoro-6-propylsulfonylpyridine
SMILESCCCS(=O)(=O)c1ccc(F)c(CC)n1
InChIInChI=1S/C10H14FNO2S/c1-3-7-15(13,14)10-6-5-8(11)9(4-2)12-10/h5-6H,3-4,7H2,1-2H3
InChIKeyDSLNIFMENRYQGQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.97
Rot. Bonds4

About 2-ethyl-3-fluoro-6-propylsulfonylpyridine

2-ethyl-3-fluoro-6-propylsulfonylpyridine (PubChem CID 91260123) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-6-propylsulfonylpyridine.

Molecular Properties

Compound Name2-ethyl-3-fluoro-6-propylsulfonylpyridine
PubChem CID91260123
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name2-ethyl-3-fluoro-6-propylsulfonylpyridine
SMILESCCCS(=O)(=O)c1ccc(F)c(CC)n1
InChIInChI=1S/C10H14FNO2S/c1-3-7-15(13,14)10-6-5-8(11)9(4-2)12-10/h5-6H,3-4,7H2,1-2H3
InChIKeyDSLNIFMENRYQGQ-UHFFFAOYSA-N
XLogP1.97
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dimethyl-3-(methylsulfonyl)-2-(propylsulfanyl)pyridine
CID 3507696
4,6-Dimethyl-3-(methylsulfonyl)-2-(propylsulfonyl)pyridine
CID 1484380
4,6-Dimethyl-3-(methylsulfonyl)-2-(propylsulfinyl)pyridine
CID 1484379
6-Methylpyridine-2-sulfonyl chloride
CID 12295464
6-(Trifluoromethyl)pyridine-2-sulfonyl chloride
CID 53415104
6-Fluoro-2-methyl-3-(methylsulfonyl)pyridine
CID 58493725
2,6-Dimethylpyridine-3-sulfonyl chloride
CID 84071270
5-Fluoro-6-methylpyridine-2-sulfonyl chloride
CID 146425369
2-Methyl-6-(3-(phenylsulfinyl)prop-1-ynyl)pyridine
CID 44415982
2-Benzylsulfinyl-6-fluoropyridine
CID 164668187
2-Picoline, 6-(ethylthio)-
CID 577760
2-Methyl-6-(methylthio)pyridine
CID 587005

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-6-propylsulfonylpyridine?
The IUPAC name of 2-ethyl-3-fluoro-6-propylsulfonylpyridine (CID 91260123) is 2-ethyl-3-fluoro-6-propylsulfonylpyridine.
What is the SMILES notation for 2-ethyl-3-fluoro-6-propylsulfonylpyridine?
The canonical SMILES for 2-ethyl-3-fluoro-6-propylsulfonylpyridine is CCCS(=O)(=O)c1ccc(F)c(CC)n1.
What is the InChIKey of 2-ethyl-3-fluoro-6-propylsulfonylpyridine?
The InChIKey is DSLNIFMENRYQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-3-7-15(13,14)10-6-5-8(11)9(4-2)12-10/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 2-ethyl-3-fluoro-6-propylsulfonylpyridine?
2-ethyl-3-fluoro-6-propylsulfonylpyridine has a molecular weight of 231.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-6-propylsulfonylpyridine is sourced from PubChem (CID 91260123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).