2-methoxypyridine-3-sulfinate

C6H6NO3S- — CID 68533465

IUPAC2-methoxypyridine-3-sulfinate
SMILESCOc1ncccc1S(=O)[O-]
InChIInChI=1S/C6H7NO3S/c1-10-6-5(11(8)9)3-2-4-7-6/h2-4H,1H3,(H,8,9)/p-1
InChIKeyFKRHOYMQAJWUDX-UHFFFAOYSA-M
MW172.19 g/mol
LogP0.33
Rot. Bonds2

About 2-methoxypyridine-3-sulfinate

2-methoxypyridine-3-sulfinate (PubChem CID 68533465) has the molecular formula C6H6NO3S- and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-methoxypyridine-3-sulfinate.

Molecular Properties

Compound Name2-methoxypyridine-3-sulfinate
PubChem CID68533465
Molecular FormulaC6H6NO3S-
Molecular Weight172.19 g/mol
Exact Mass172.01
IUPAC Name2-methoxypyridine-3-sulfinate
SMILESCOc1ncccc1S(=O)[O-]
InChIInChI=1S/C6H7NO3S/c1-10-6-5(11(8)9)3-2-4-7-6/h2-4H,1H3,(H,8,9)/p-1
InChIKeyFKRHOYMQAJWUDX-UHFFFAOYSA-M
XLogP0.33
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium 3-methoxypyrazine-2-sulfinate
CID 146012652
potassium 2-methoxybenzenesulfinate
CID 70117508
2-methoxypyridin-3-ol;hydrate
CID 132769884
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
sodium 8-methylquinoline-5-sulfinate
CID 131206399
(2-methoxy-3-pyridinyl) methanesulfonate
CID 130831451
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
2-methoxypyridine-3-diazonium
CID 175142143
5-methoxy-1,6-naphthyridine
CID 67055577
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine
CID 81188848
2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine
CID 164570619

Frequently Asked Questions

What is the IUPAC name of 2-methoxypyridine-3-sulfinate?
The IUPAC name of 2-methoxypyridine-3-sulfinate (CID 68533465) is 2-methoxypyridine-3-sulfinate.
What is the SMILES notation for 2-methoxypyridine-3-sulfinate?
The canonical SMILES for 2-methoxypyridine-3-sulfinate is COc1ncccc1S(=O)[O-].
What is the InChIKey of 2-methoxypyridine-3-sulfinate?
The InChIKey is FKRHOYMQAJWUDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO3S/c1-10-6-5(11(8)9)3-2-4-7-6/h2-4H,1H3,(H,8,9)/p-1.
What are the key properties of 2-methoxypyridine-3-sulfinate?
2-methoxypyridine-3-sulfinate has a molecular weight of 172.19 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypyridine-3-sulfinate is sourced from PubChem (CID 68533465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).