2-fluoro-5-(methylsulfonylmethyl)pyridine

C7H8FNO2S — CID 66660787

IUPAC2-fluoro-5-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1ccc(F)nc1
InChIInChI=1S/C7H8FNO2S/c1-12(10,11)5-6-2-3-7(8)9-4-6/h2-4H,5H2,1H3
InChIKeyZXXMYKVCQKQXAZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.77
Rot. Bonds2

About 2-fluoro-5-(methylsulfonylmethyl)pyridine

2-fluoro-5-(methylsulfonylmethyl)pyridine (PubChem CID 66660787) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-fluoro-5-(methylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-5-(methylsulfonylmethyl)pyridine
PubChem CID66660787
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name2-fluoro-5-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1ccc(F)nc1
InChIInChI=1S/C7H8FNO2S/c1-12(10,11)5-6-2-3-7(8)9-4-6/h2-4H,5H2,1H3
InChIKeyZXXMYKVCQKQXAZ-UHFFFAOYSA-N
XLogP0.77
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.77
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 2-fluoro-5-(methylsulfonylmethyl)pyridine?
The IUPAC name of 2-fluoro-5-(methylsulfonylmethyl)pyridine (CID 66660787) is 2-fluoro-5-(methylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-fluoro-5-(methylsulfonylmethyl)pyridine?
The canonical SMILES for 2-fluoro-5-(methylsulfonylmethyl)pyridine is CS(=O)(=O)Cc1ccc(F)nc1.
What is the InChIKey of 2-fluoro-5-(methylsulfonylmethyl)pyridine?
The InChIKey is ZXXMYKVCQKQXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-12(10,11)5-6-2-3-7(8)9-4-6/h2-4H,5H2,1H3.
What are the key properties of 2-fluoro-5-(methylsulfonylmethyl)pyridine?
2-fluoro-5-(methylsulfonylmethyl)pyridine has a molecular weight of 189.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(methylsulfonylmethyl)pyridine is sourced from PubChem (CID 66660787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).