4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine

C12H17NO2 — CID 155766247

IUPAC4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine
SMILESCCC1CC(C)OC(c2ccncc2)O1
InChIInChI=1S/C12H17NO2/c1-3-11-8-9(2)14-12(15-11)10-4-6-13-7-5-10/h4-7,9,11-12H,3,8H2,1-2H3
InChIKeyIZSNLYYWGCGXIO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.68
Rot. Bonds2

About 4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine

4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine (PubChem CID 155766247) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine.

Molecular Properties

Compound Name4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine
PubChem CID155766247
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine
SMILESCCC1CC(C)OC(c2ccncc2)O1
InChIInChI=1S/C12H17NO2/c1-3-11-8-9(2)14-12(15-11)10-4-6-13-7-5-10/h4-7,9,11-12H,3,8H2,1-2H3
InChIKeyIZSNLYYWGCGXIO-UHFFFAOYSA-N
XLogP2.68
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine?
The IUPAC name of 4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine (CID 155766247) is 4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine.
What is the SMILES notation for 4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine?
The canonical SMILES for 4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine is CCC1CC(C)OC(c2ccncc2)O1.
What is the InChIKey of 4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine?
The InChIKey is IZSNLYYWGCGXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-11-8-9(2)14-12(15-11)10-4-6-13-7-5-10/h4-7,9,11-12H,3,8H2,1-2H3.
What are the key properties of 4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine?
4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine has a molecular weight of 207.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine is sourced from PubChem (CID 155766247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).