1-methyl-5-methylsulfonyl-2H-pyridine

C7H11NO2S — CID 141417136

IUPAC1-methyl-5-methylsulfonyl-2H-pyridine
SMILESCN1C=C(S(C)(=O)=O)C=CC1
InChIInChI=1S/C7H11NO2S/c1-8-5-3-4-7(6-8)11(2,9)10/h3-4,6H,5H2,1-2H3
InChIKeyZFMSGFPNVVCFNE-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.37
Rot. Bonds1

About 1-methyl-5-methylsulfonyl-2H-pyridine

1-methyl-5-methylsulfonyl-2H-pyridine (PubChem CID 141417136) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-methyl-5-methylsulfonyl-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-methylsulfonyl-2H-pyridine
PubChem CID141417136
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name1-methyl-5-methylsulfonyl-2H-pyridine
SMILESCN1C=C(S(C)(=O)=O)C=CC1
InChIInChI=1S/C7H11NO2S/c1-8-5-3-4-7(6-8)11(2,9)10/h3-4,6H,5H2,1-2H3
InChIKeyZFMSGFPNVVCFNE-UHFFFAOYSA-N
XLogP0.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylsulfonyl-2H-pyridine?
The IUPAC name of 1-methyl-5-methylsulfonyl-2H-pyridine (CID 141417136) is 1-methyl-5-methylsulfonyl-2H-pyridine.
What is the SMILES notation for 1-methyl-5-methylsulfonyl-2H-pyridine?
The canonical SMILES for 1-methyl-5-methylsulfonyl-2H-pyridine is CN1C=C(S(C)(=O)=O)C=CC1.
What is the InChIKey of 1-methyl-5-methylsulfonyl-2H-pyridine?
The InChIKey is ZFMSGFPNVVCFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-8-5-3-4-7(6-8)11(2,9)10/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-methyl-5-methylsulfonyl-2H-pyridine?
1-methyl-5-methylsulfonyl-2H-pyridine has a molecular weight of 173.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylsulfonyl-2H-pyridine is sourced from PubChem (CID 141417136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).