6-fluoro-2-methyl-3-methylsulfonylpyridine

C7H8FNO2S — CID 58493725

IUPAC6-fluoro-2-methyl-3-methylsulfonylpyridine
SMILESCc1nc(F)ccc1S(C)(=O)=O
InChIInChI=1S/C7H8FNO2S/c1-5-6(12(2,10)11)3-4-7(8)9-5/h3-4H,1-2H3
InChIKeyIPAGEVKSCYHZQF-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.93
Rot. Bonds1

About 6-fluoro-2-methyl-3-methylsulfonylpyridine

6-fluoro-2-methyl-3-methylsulfonylpyridine (PubChem CID 58493725) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3-methylsulfonylpyridine.

Molecular Properties

Compound Name6-fluoro-2-methyl-3-methylsulfonylpyridine
PubChem CID58493725
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name6-fluoro-2-methyl-3-methylsulfonylpyridine
SMILESCc1nc(F)ccc1S(C)(=O)=O
InChIInChI=1S/C7H8FNO2S/c1-5-6(12(2,10)11)3-4-7(8)9-5/h3-4H,1-2H3
InChIKeyIPAGEVKSCYHZQF-UHFFFAOYSA-N
XLogP0.93
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-3-methylsulfonylpyridine?
The IUPAC name of 6-fluoro-2-methyl-3-methylsulfonylpyridine (CID 58493725) is 6-fluoro-2-methyl-3-methylsulfonylpyridine.
What is the SMILES notation for 6-fluoro-2-methyl-3-methylsulfonylpyridine?
The canonical SMILES for 6-fluoro-2-methyl-3-methylsulfonylpyridine is Cc1nc(F)ccc1S(C)(=O)=O.
What is the InChIKey of 6-fluoro-2-methyl-3-methylsulfonylpyridine?
The InChIKey is IPAGEVKSCYHZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-5-6(12(2,10)11)3-4-7(8)9-5/h3-4H,1-2H3.
What are the key properties of 6-fluoro-2-methyl-3-methylsulfonylpyridine?
6-fluoro-2-methyl-3-methylsulfonylpyridine has a molecular weight of 189.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-3-methylsulfonylpyridine is sourced from PubChem (CID 58493725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).