6-ethoxy-1,2-dihydropyridine

C7H11NO — CID 22318745

IUPAC6-ethoxy-1,2-dihydropyridine
SMILESCCOC1=CC=CCN1
InChIInChI=1S/C7H11NO/c1-2-9-7-5-3-4-6-8-7/h3-5,8H,2,6H2,1H3
InChIKeyYFXOYMYNGUOYPL-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.02
Rot. Bonds2

About 6-ethoxy-1,2-dihydropyridine

6-ethoxy-1,2-dihydropyridine (PubChem CID 22318745) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-ethoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name6-ethoxy-1,2-dihydropyridine
PubChem CID22318745
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-ethoxy-1,2-dihydropyridine
SMILESCCOC1=CC=CCN1
InChIInChI=1S/C7H11NO/c1-2-9-7-5-3-4-6-8-7/h3-5,8H,2,6H2,1H3
InChIKeyYFXOYMYNGUOYPL-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethoxy-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

6-Methoxy-1,2-dihydropyridine
CID 5255215
2,6-Dimethoxy-1,2-dihydropyridine
CID 18619815
6-Methoxy-1-oxido-1,2-dihydropyridin-1-ium
CID 20200212
2-Methylidene-3,4-dihydro-1,3-oxazine
CID 59114531
6-[(2-Methylpropan-2-yl)oxy]-1,2-dihydropyridine
CID 59630834
6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine
CID 69026533
N-methyl-2H-pyran-2-amine
CID 69578943
6-Ethoxy-4-methyl-1,2-dihydropyridine
CID 89141322
6-Methoxy-3-methyl-1,2-dihydropyridine
CID 89419762
CID 89821311
CID 89821311
Ethane;2-methylidene-3,4-dihydro-1,3-oxazine
CID 91326666
(1E)-1-ethoxy-N-methylbuta-1,3-dien-1-amine
CID 118349257

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,2-dihydropyridine?
The IUPAC name of 6-ethoxy-1,2-dihydropyridine (CID 22318745) is 6-ethoxy-1,2-dihydropyridine.
What is the SMILES notation for 6-ethoxy-1,2-dihydropyridine?
The canonical SMILES for 6-ethoxy-1,2-dihydropyridine is CCOC1=CC=CCN1.
What is the InChIKey of 6-ethoxy-1,2-dihydropyridine?
The InChIKey is YFXOYMYNGUOYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-9-7-5-3-4-6-8-7/h3-5,8H,2,6H2,1H3.
What are the key properties of 6-ethoxy-1,2-dihydropyridine?
6-ethoxy-1,2-dihydropyridine has a molecular weight of 125.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,2-dihydropyridine is sourced from PubChem (CID 22318745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).