6-ethoxy-4-methyl-1,2-dihydropyridine

C8H13NO — CID 89141322

IUPAC6-ethoxy-4-methyl-1,2-dihydropyridine
SMILESCCOC1=CC(C)=CCN1
InChIInChI=1S/C8H13NO/c1-3-10-8-6-7(2)4-5-9-8/h4,6,9H,3,5H2,1-2H3
InChIKeyHMLQJSRKALMZMU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.41
Rot. Bonds2

About 6-ethoxy-4-methyl-1,2-dihydropyridine

6-ethoxy-4-methyl-1,2-dihydropyridine (PubChem CID 89141322) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-ethoxy-4-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-ethoxy-4-methyl-1,2-dihydropyridine
PubChem CID89141322
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-ethoxy-4-methyl-1,2-dihydropyridine
SMILESCCOC1=CC(C)=CCN1
InChIInChI=1S/C8H13NO/c1-3-10-8-6-7(2)4-5-9-8/h4,6,9H,3,5H2,1-2H3
InChIKeyHMLQJSRKALMZMU-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-methyl-1,2-dihydropyridine?
The IUPAC name of 6-ethoxy-4-methyl-1,2-dihydropyridine (CID 89141322) is 6-ethoxy-4-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-ethoxy-4-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-ethoxy-4-methyl-1,2-dihydropyridine is CCOC1=CC(C)=CCN1.
What is the InChIKey of 6-ethoxy-4-methyl-1,2-dihydropyridine?
The InChIKey is HMLQJSRKALMZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-10-8-6-7(2)4-5-9-8/h4,6,9H,3,5H2,1-2H3.
What are the key properties of 6-ethoxy-4-methyl-1,2-dihydropyridine?
6-ethoxy-4-methyl-1,2-dihydropyridine has a molecular weight of 139.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-methyl-1,2-dihydropyridine is sourced from PubChem (CID 89141322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).