2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine

C14H17NO2 — CID 176550079

IUPAC2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine
SMILESC1=COC(c2cccc(C3CCCCC3)n2)O1
InChIInChI=1S/C14H17NO2/c1-2-5-11(6-3-1)12-7-4-8-13(15-12)14-16-9-10-17-14/h4,7-11,14H,1-3,5-6H2
InChIKeyVPYNTKGLGBSXSG-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.65
Rot. Bonds2

About 2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine

2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine (PubChem CID 176550079) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine.

Molecular Properties

Compound Name2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine
PubChem CID176550079
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine
SMILESC1=COC(c2cccc(C3CCCCC3)n2)O1
InChIInChI=1S/C14H17NO2/c1-2-5-11(6-3-1)12-7-4-8-13(15-12)14-16-9-10-17-14/h4,7-11,14H,1-3,5-6H2
InChIKeyVPYNTKGLGBSXSG-UHFFFAOYSA-N
XLogP3.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine?
The IUPAC name of 2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine (CID 176550079) is 2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine.
What is the SMILES notation for 2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine?
The canonical SMILES for 2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine is C1=COC(c2cccc(C3CCCCC3)n2)O1.
What is the InChIKey of 2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine?
The InChIKey is VPYNTKGLGBSXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-5-11(6-3-1)12-7-4-8-13(15-12)14-16-9-10-17-14/h4,7-11,14H,1-3,5-6H2.
What are the key properties of 2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine?
2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine has a molecular weight of 231.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(1,3-dioxol-2-yl)pyridine is sourced from PubChem (CID 176550079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).