(2-methoxy-3-pyridinyl) methanesulfonate

C7H9NO4S — CID 130831451

IUPAC(2-methoxy-3-pyridinyl) methanesulfonate
SMILESCOc1ncccc1OS(C)(=O)=O
InChIInChI=1S/C7H9NO4S/c1-11-7-6(4-3-5-8-7)12-13(2,9)10/h3-5H,1-2H3
InChIKeyHDAUZGDZYXGJEO-UHFFFAOYSA-N
MW203.22 g/mol
LogP0.43
Rot. Bonds3

About (2-methoxy-3-pyridinyl) methanesulfonate

(2-methoxy-3-pyridinyl) methanesulfonate (PubChem CID 130831451) has the molecular formula C7H9NO4S and a molecular weight of 203.22 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl) methanesulfonate.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl) methanesulfonate
PubChem CID130831451
Molecular FormulaC7H9NO4S
Molecular Weight203.22 g/mol
Exact Mass203.03
IUPAC Name(2-methoxy-3-pyridinyl) methanesulfonate
SMILESCOc1ncccc1OS(C)(=O)=O
InChIInChI=1S/C7H9NO4S/c1-11-7-6(4-3-5-8-7)12-13(2,9)10/h3-5H,1-2H3
InChIKeyHDAUZGDZYXGJEO-UHFFFAOYSA-N
XLogP0.43
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-3-pyridinyl) methanesulfonate
CID 119084020
ethane;2-methoxy-3-(methoxymethoxy)pyridine
CID 144703127
1-(2-methoxy-3-pyridinyl)ethyl methanesulfonate
CID 131853710
3-(1-fluoroethoxy)-2-methoxypyridine
CID 131995138
(5-chloroquinolin-8-yl) methanesulfonate
CID 86302357
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
acetyloxy-[(2-methoxy-3-pyridinyl)oxy]lead
CID 164850510
(2,5-difluoro-4-methoxyphenyl) methanesulfonate
CID 88541805
2-methoxy-3-(trifluoromethylsulfonyl)pyridine
CID 67361134
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-one
CID 105084342
(2-hydroxyphenyl) methanesulfonate
CID 13248339
2-methoxypyridin-3-ol;hydrate
CID 132769884

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl) methanesulfonate?
The IUPAC name of (2-methoxy-3-pyridinyl) methanesulfonate (CID 130831451) is (2-methoxy-3-pyridinyl) methanesulfonate.
What is the SMILES notation for (2-methoxy-3-pyridinyl) methanesulfonate?
The canonical SMILES for (2-methoxy-3-pyridinyl) methanesulfonate is COc1ncccc1OS(C)(=O)=O.
What is the InChIKey of (2-methoxy-3-pyridinyl) methanesulfonate?
The InChIKey is HDAUZGDZYXGJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S/c1-11-7-6(4-3-5-8-7)12-13(2,9)10/h3-5H,1-2H3.
What are the key properties of (2-methoxy-3-pyridinyl) methanesulfonate?
(2-methoxy-3-pyridinyl) methanesulfonate has a molecular weight of 203.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl) methanesulfonate is sourced from PubChem (CID 130831451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).