4-(diethoxymethyl)pyridine

C10H15NO2 — CID 15389192

IUPAC4-(diethoxymethyl)pyridine
SMILESCCOC(OCC)c1ccncc1
InChIInChI=1S/C10H15NO2/c1-3-12-10(13-4-2)9-5-7-11-8-6-9/h5-8,10H,3-4H2,1-2H3
InChIKeyAQLFDWKAJBODBL-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.15
Rot. Bonds5

About 4-(diethoxymethyl)pyridine

4-(diethoxymethyl)pyridine (PubChem CID 15389192) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(diethoxymethyl)pyridine.

Molecular Properties

Compound Name4-(diethoxymethyl)pyridine
PubChem CID15389192
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-(diethoxymethyl)pyridine
SMILESCCOC(OCC)c1ccncc1
InChIInChI=1S/C10H15NO2/c1-3-12-10(13-4-2)9-5-7-11-8-6-9/h5-8,10H,3-4H2,1-2H3
InChIKeyAQLFDWKAJBODBL-UHFFFAOYSA-N
XLogP2.15
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.15
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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Related Compounds

3-(diethoxymethyl)-4-methylpyridine
CID 55269894
3-[[4-(diethoxymethyl)phenyl]methyl]pyridine
CID 12882176
[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol
CID 10401799
1-(bromomethyl)-4-(diethoxymethyl)benzene
CID 639761
[4-(diethoxymethyl)phenyl]methanol
CID 11063705
2-[4-(diethoxymethyl)-2-pyridinyl]acetonitrile
CID 170886281
zinc tetrakis(4-pentan-3-ylpyridine)
CID 50909730
4-(1-chlorobutan-2-yl)pyridine
CID 141093425
1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene
CID 174782098
[ethoxy(phenyl)methoxy]-triethylsilane
CID 139842953
1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene
CID 14121777
[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)pyridine?
The IUPAC name of 4-(diethoxymethyl)pyridine (CID 15389192) is 4-(diethoxymethyl)pyridine.
What is the SMILES notation for 4-(diethoxymethyl)pyridine?
The canonical SMILES for 4-(diethoxymethyl)pyridine is CCOC(OCC)c1ccncc1.
What is the InChIKey of 4-(diethoxymethyl)pyridine?
The InChIKey is AQLFDWKAJBODBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-12-10(13-4-2)9-5-7-11-8-6-9/h5-8,10H,3-4H2,1-2H3.
What are the key properties of 4-(diethoxymethyl)pyridine?
4-(diethoxymethyl)pyridine has a molecular weight of 181.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)pyridine is sourced from PubChem (CID 15389192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).