4,4-dimethoxy-1-methylpyridine

C8H13NO2 — CID 174597270

IUPAC4,4-dimethoxy-1-methylpyridine
SMILESCOC1(OC)C=CN(C)C=C1
InChIInChI=1S/C8H13NO2/c1-9-6-4-8(10-2,11-3)5-7-9/h4-7H,1-3H3
InChIKeyXPXGWTLVAKVWPY-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.95
Rot. Bonds2

About 4,4-dimethoxy-1-methylpyridine

4,4-dimethoxy-1-methylpyridine (PubChem CID 174597270) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4,4-dimethoxy-1-methylpyridine.

Molecular Properties

Compound Name4,4-dimethoxy-1-methylpyridine
PubChem CID174597270
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4,4-dimethoxy-1-methylpyridine
SMILESCOC1(OC)C=CN(C)C=C1
InChIInChI=1S/C8H13NO2/c1-9-6-4-8(10-2,11-3)5-7-9/h4-7H,1-3H3
InChIKeyXPXGWTLVAKVWPY-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-1-methylpyridine?
The IUPAC name of 4,4-dimethoxy-1-methylpyridine (CID 174597270) is 4,4-dimethoxy-1-methylpyridine.
What is the SMILES notation for 4,4-dimethoxy-1-methylpyridine?
The canonical SMILES for 4,4-dimethoxy-1-methylpyridine is COC1(OC)C=CN(C)C=C1.
What is the InChIKey of 4,4-dimethoxy-1-methylpyridine?
The InChIKey is XPXGWTLVAKVWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-6-4-8(10-2,11-3)5-7-9/h4-7H,1-3H3.
What are the key properties of 4,4-dimethoxy-1-methylpyridine?
4,4-dimethoxy-1-methylpyridine 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 4,4-dimethoxy-1-methylpyridine is sourced from PubChem (CID 174597270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).