1,4-dioxane;2-methylpyridine

C10H15NO2 — CID 158048361

IUPAC1,4-dioxane;2-methylpyridine
SMILESC1COCCO1.Cc1ccccn1
InChIInChI=1S/C6H7N.C4H8O2/c1-6-4-2-3-5-7-6;1-2-6-4-3-5-1/h2-5H,1H3;1-4H2
InChIKeyFJEKLQHWJOUGGH-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.42
Rot. Bonds

About 1,4-dioxane;2-methylpyridine

1,4-dioxane;2-methylpyridine (PubChem CID 158048361) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1,4-dioxane;2-methylpyridine.

Molecular Properties

Compound Name1,4-dioxane;2-methylpyridine
PubChem CID158048361
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1,4-dioxane;2-methylpyridine
SMILESC1COCCO1.Cc1ccccn1
InChIInChI=1S/C6H7N.C4H8O2/c1-6-4-2-3-5-7-6;1-2-6-4-3-5-1/h2-5H,1H3;1-4H2
InChIKeyFJEKLQHWJOUGGH-UHFFFAOYSA-N
XLogP1.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;2-methylpyridine?
The IUPAC name of 1,4-dioxane;2-methylpyridine (CID 158048361) is 1,4-dioxane;2-methylpyridine.
What is the SMILES notation for 1,4-dioxane;2-methylpyridine?
The canonical SMILES for 1,4-dioxane;2-methylpyridine is C1COCCO1.Cc1ccccn1.
What is the InChIKey of 1,4-dioxane;2-methylpyridine?
The InChIKey is FJEKLQHWJOUGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H8O2/c1-6-4-2-3-5-7-6;1-2-6-4-3-5-1/h2-5H,1H3;1-4H2.
What are the key properties of 1,4-dioxane;2-methylpyridine?
1,4-dioxane;2-methylpyridine has a molecular weight of 181.24 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;2-methylpyridine is sourced from PubChem (CID 158048361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).