2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine

C9H15NO2 — CID 173057991

IUPAC2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine
SMILESCCOCC1NC=CC=C1OC
InChIInChI=1S/C9H15NO2/c1-3-12-7-8-9(11-2)5-4-6-10-8/h4-6,8,10H,3,7H2,1-2H3
InChIKeyPHOUBELAXKJVAW-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.04
Rot. Bonds4

About 2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine

2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine (PubChem CID 173057991) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine
PubChem CID173057991
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine
SMILESCCOCC1NC=CC=C1OC
InChIInChI=1S/C9H15NO2/c1-3-12-7-8-9(11-2)5-4-6-10-8/h4-6,8,10H,3,7H2,1-2H3
InChIKeyPHOUBELAXKJVAW-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine?
The IUPAC name of 2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine (CID 173057991) is 2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine.
What is the SMILES notation for 2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine?
The canonical SMILES for 2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine is CCOCC1NC=CC=C1OC.
What is the InChIKey of 2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine?
The InChIKey is PHOUBELAXKJVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-12-7-8-9(11-2)5-4-6-10-8/h4-6,8,10H,3,7H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine?
2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine has a molecular weight of 169.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3-methoxy-1,2-dihydropyridine is sourced from PubChem (CID 173057991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).