2,3-diethoxy-1,2-dihydropyridine

C9H15NO2 — CID 173058163

IUPAC2,3-diethoxy-1,2-dihydropyridine
SMILESCCOC1=CC=CNC1OCC
InChIInChI=1S/C9H15NO2/c1-3-11-8-6-5-7-10-9(8)12-4-2/h5-7,9-10H,3-4H2,1-2H3
InChIKeyAMTRVUFMCBSHEU-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.39
Rot. Bonds4

About 2,3-diethoxy-1,2-dihydropyridine

2,3-diethoxy-1,2-dihydropyridine (PubChem CID 173058163) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2,3-diethoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name2,3-diethoxy-1,2-dihydropyridine
PubChem CID173058163
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2,3-diethoxy-1,2-dihydropyridine
SMILESCCOC1=CC=CNC1OCC
InChIInChI=1S/C9H15NO2/c1-3-11-8-6-5-7-10-9(8)12-4-2/h5-7,9-10H,3-4H2,1-2H3
InChIKeyAMTRVUFMCBSHEU-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-diethoxy-1,2-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dimethoxy-1,2-dihydropyridine
CID 18619796
(2S)-2-(2-methoxyethoxy)-1,2-dihydropyridine
CID 68320761
2-(2-Methoxyethoxy)-1,2-dihydropyridine
CID 77478651
3,8-Dimethoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium;ethane;sulfane
CID 142287652
(5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium
CID 142287659
(2-Methoxy-3-propan-2-yloxy-1,2-dihydropyridin-6-yl)phosphane
CID 145573204
(3E)-N-ethenyl-3-ethylidene-1,4-dioxan-2-amine;(3Z)-penta-1,3-diene
CID 145633493
3-propoxy-2H-pyran-2-amine
CID 149663602
3-Ethoxy-2-methoxy-1,2-dihydropyridine
CID 173058050
2-Ethoxy-3-propoxy-1,2-dihydropyridine
CID 173058117
2-Methoxy-3-propoxy-1,2-dihydropyridine
CID 173058141
2,3,5,6-Tetrahydro-[1,4]dioxino[2,3-c]pyridine
CID 173084042

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-1,2-dihydropyridine?
The IUPAC name of 2,3-diethoxy-1,2-dihydropyridine (CID 173058163) is 2,3-diethoxy-1,2-dihydropyridine.
What is the SMILES notation for 2,3-diethoxy-1,2-dihydropyridine?
The canonical SMILES for 2,3-diethoxy-1,2-dihydropyridine is CCOC1=CC=CNC1OCC.
What is the InChIKey of 2,3-diethoxy-1,2-dihydropyridine?
The InChIKey is AMTRVUFMCBSHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-11-8-6-5-7-10-9(8)12-4-2/h5-7,9-10H,3-4H2,1-2H3.
What are the key properties of 2,3-diethoxy-1,2-dihydropyridine?
2,3-diethoxy-1,2-dihydropyridine has a molecular weight of 169.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-1,2-dihydropyridine is sourced from PubChem (CID 173058163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).