3-ethoxy-2-methoxy-1,2-dihydropyridine

C8H13NO2 — CID 173058050

IUPAC3-ethoxy-2-methoxy-1,2-dihydropyridine
SMILESCCOC1=CC=CNC1OC
InChIInChI=1S/C8H13NO2/c1-3-11-7-5-4-6-9-8(7)10-2/h4-6,8-9H,3H2,1-2H3
InChIKeyKRWHQKXHMFMQTQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.00
Rot. Bonds3

About 3-ethoxy-2-methoxy-1,2-dihydropyridine

3-ethoxy-2-methoxy-1,2-dihydropyridine (PubChem CID 173058050) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-1,2-dihydropyridine
PubChem CID173058050
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-ethoxy-2-methoxy-1,2-dihydropyridine
SMILESCCOC1=CC=CNC1OC
InChIInChI=1S/C8H13NO2/c1-3-11-7-5-4-6-9-8(7)10-2/h4-6,8-9H,3H2,1-2H3
InChIKeyKRWHQKXHMFMQTQ-UHFFFAOYSA-N
XLogP1.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dimethoxy-1,2-dihydropyridine
CID 18619796
2,4-Dimethoxy-1,2-dihydropyridine
CID 18619805
(2S)-2-(2-methoxyethoxy)-1,2-dihydropyridine
CID 68320761
2-(2-Methoxyethoxy)-1,2-dihydropyridine
CID 77478651
(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine
CID 138710993
2-(2,6-Dimethyl-2,3-dihydro-1,4-dioxin-5-yl)-1,4-dihydropyridine
CID 141547705
(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
2-Ethoxy-3-propoxy-1,2-dihydropyridine
CID 173058117
2-Methoxy-3-propoxy-1,2-dihydropyridine
CID 173058141

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-1,2-dihydropyridine?
The IUPAC name of 3-ethoxy-2-methoxy-1,2-dihydropyridine (CID 173058050) is 3-ethoxy-2-methoxy-1,2-dihydropyridine.
What is the SMILES notation for 3-ethoxy-2-methoxy-1,2-dihydropyridine?
The canonical SMILES for 3-ethoxy-2-methoxy-1,2-dihydropyridine is CCOC1=CC=CNC1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-1,2-dihydropyridine?
The InChIKey is KRWHQKXHMFMQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-11-7-5-4-6-9-8(7)10-2/h4-6,8-9H,3H2,1-2H3.
What are the key properties of 3-ethoxy-2-methoxy-1,2-dihydropyridine?
3-ethoxy-2-methoxy-1,2-dihydropyridine has a molecular weight of 155.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-1,2-dihydropyridine is sourced from PubChem (CID 173058050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).