3,4-dimethoxy-1-methyl-2H-pyridine

C8H13NO2 — CID 5319882

IUPAC3,4-dimethoxy-1-methyl-2H-pyridine
SMILESCOC1=C(OC)CN(C)C=C1
InChIInChI=1S/C8H13NO2/c1-9-5-4-7(10-2)8(6-9)11-3/h4-5H,6H2,1-3H3
InChIKeyMYDYIGNXMHUFGM-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.95
Rot. Bonds2

About 3,4-dimethoxy-1-methyl-2H-pyridine

3,4-dimethoxy-1-methyl-2H-pyridine (PubChem CID 5319882) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3,4-dimethoxy-1-methyl-2H-pyridine.

Molecular Properties

Compound Name3,4-dimethoxy-1-methyl-2H-pyridine
PubChem CID5319882
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3,4-dimethoxy-1-methyl-2H-pyridine
SMILESCOC1=C(OC)CN(C)C=C1
InChIInChI=1S/C8H13NO2/c1-9-5-4-7(10-2)8(6-9)11-3/h4-5H,6H2,1-3H3
InChIKeyMYDYIGNXMHUFGM-UHFFFAOYSA-N
XLogP0.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-1-methyl-2H-pyridine?
The IUPAC name of 3,4-dimethoxy-1-methyl-2H-pyridine (CID 5319882) is 3,4-dimethoxy-1-methyl-2H-pyridine.
What is the SMILES notation for 3,4-dimethoxy-1-methyl-2H-pyridine?
The canonical SMILES for 3,4-dimethoxy-1-methyl-2H-pyridine is COC1=C(OC)CN(C)C=C1.
What is the InChIKey of 3,4-dimethoxy-1-methyl-2H-pyridine?
The InChIKey is MYDYIGNXMHUFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-5-4-7(10-2)8(6-9)11-3/h4-5H,6H2,1-3H3.
What are the key properties of 3,4-dimethoxy-1-methyl-2H-pyridine?
3,4-dimethoxy-1-methyl-2H-pyridine has a molecular weight of 155.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-1-methyl-2H-pyridine is sourced from PubChem (CID 5319882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).