(6-methyl-3-pyridinyl) methanesulfinate

C7H9NO2S — CID 20719794

IUPAC(6-methyl-3-pyridinyl) methanesulfinate
SMILESCc1ccc(OS(C)=O)cn1
InChIInChI=1S/C7H9NO2S/c1-6-3-4-7(5-8-6)10-11(2)9/h3-5H,1-2H3
InChIKeyRCZLLQUVXLGALP-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.06
Rot. Bonds2

About (6-methyl-3-pyridinyl) methanesulfinate

(6-methyl-3-pyridinyl) methanesulfinate (PubChem CID 20719794) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl) methanesulfinate.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl) methanesulfinate
PubChem CID20719794
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(6-methyl-3-pyridinyl) methanesulfinate
SMILESCc1ccc(OS(C)=O)cn1
InChIInChI=1S/C7H9NO2S/c1-6-3-4-7(5-8-6)10-11(2)9/h3-5H,1-2H3
InChIKeyRCZLLQUVXLGALP-UHFFFAOYSA-N
XLogP1.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl) methanesulfinate?
The IUPAC name of (6-methyl-3-pyridinyl) methanesulfinate (CID 20719794) is (6-methyl-3-pyridinyl) methanesulfinate.
What is the SMILES notation for (6-methyl-3-pyridinyl) methanesulfinate?
The canonical SMILES for (6-methyl-3-pyridinyl) methanesulfinate is Cc1ccc(OS(C)=O)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl) methanesulfinate?
The InChIKey is RCZLLQUVXLGALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-6-3-4-7(5-8-6)10-11(2)9/h3-5H,1-2H3.
What are the key properties of (6-methyl-3-pyridinyl) methanesulfinate?
(6-methyl-3-pyridinyl) methanesulfinate has a molecular weight of 171.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl) methanesulfinate is sourced from PubChem (CID 20719794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).