methyl pyridine-3-sulfinate

C6H7NO2S — CID 18713773

IUPACmethyl pyridine-3-sulfinate
SMILESCOS(=O)c1cccnc1
InChIInChI=1S/C6H7NO2S/c1-9-10(8)6-3-2-4-7-5-6/h2-5H,1H3
InChIKeyXXYMCTAEDDWSDS-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.75
Rot. Bonds2

About methyl pyridine-3-sulfinate

methyl pyridine-3-sulfinate (PubChem CID 18713773) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is methyl pyridine-3-sulfinate.

Molecular Properties

Compound Namemethyl pyridine-3-sulfinate
PubChem CID18713773
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Namemethyl pyridine-3-sulfinate
SMILESCOS(=O)c1cccnc1
InChIInChI=1S/C6H7NO2S/c1-9-10(8)6-3-2-4-7-5-6/h2-5H,1H3
InChIKeyXXYMCTAEDDWSDS-UHFFFAOYSA-N
XLogP0.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl pyridine-3-sulfinate?
The IUPAC name of methyl pyridine-3-sulfinate (CID 18713773) is methyl pyridine-3-sulfinate.
What is the SMILES notation for methyl pyridine-3-sulfinate?
The canonical SMILES for methyl pyridine-3-sulfinate is COS(=O)c1cccnc1.
What is the InChIKey of methyl pyridine-3-sulfinate?
The InChIKey is XXYMCTAEDDWSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-9-10(8)6-3-2-4-7-5-6/h2-5H,1H3.
What are the key properties of methyl pyridine-3-sulfinate?
methyl pyridine-3-sulfinate has a molecular weight of 157.19 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyridine-3-sulfinate is sourced from PubChem (CID 18713773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).