2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid

C10H17NO6S — CID 174787510

IUPAC2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid
SMILESCOc1cccc(C(OC)OC)n1.CS(=O)(=O)O
InChIInChI=1S/C9H13NO3.CH4O3S/c1-11-8-6-4-5-7(10-8)9(12-2)13-3;1-5(2,3)4/h4-6,9H,1-3H3;1H3,(H,2,3,4)
InChIKeyKKJVJLOHWPUERM-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.89
Rot. Bonds4

About 2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid

2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid (PubChem CID 174787510) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid.

Molecular Properties

Compound Name2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid
PubChem CID174787510
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid
SMILESCOc1cccc(C(OC)OC)n1.CS(=O)(=O)O
InChIInChI=1S/C9H13NO3.CH4O3S/c1-11-8-6-4-5-7(10-8)9(12-2)13-3;1-5(2,3)4/h4-6,9H,1-3H3;1H3,(H,2,3,4)
InChIKeyKKJVJLOHWPUERM-UHFFFAOYSA-N
XLogP0.89
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid?
The IUPAC name of 2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid (CID 174787510) is 2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid.
What is the SMILES notation for 2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid?
The canonical SMILES for 2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid is COc1cccc(C(OC)OC)n1.CS(=O)(=O)O.
What is the InChIKey of 2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid?
The InChIKey is KKJVJLOHWPUERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3.CH4O3S/c1-11-8-6-4-5-7(10-8)9(12-2)13-3;1-5(2,3)4/h4-6,9H,1-3H3;1H3,(H,2,3,4).
What are the key properties of 2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid?
2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid has a molecular weight of 279.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid is sourced from PubChem (CID 174787510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).