2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate

C13H17NO4 — CID 46782229

IUPAC2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate
SMILESCC(=O)OCCc1ccc(C2(C)OCCO2)cn1
InChIInChI=1S/C13H17NO4/c1-10(15)16-6-5-12-4-3-11(9-14-12)13(2)17-7-8-18-13/h3-4,9H,5-8H2,1-2H3
InChIKeyWPTZWMHTKZOJSE-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.41
Rot. Bonds4

About 2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate

2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate (PubChem CID 46782229) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate.

Molecular Properties

Compound Name2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate
PubChem CID46782229
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate
SMILESCC(=O)OCCc1ccc(C2(C)OCCO2)cn1
InChIInChI=1S/C13H17NO4/c1-10(15)16-6-5-12-4-3-11(9-14-12)13(2)17-7-8-18-13/h3-4,9H,5-8H2,1-2H3
InChIKeyWPTZWMHTKZOJSE-UHFFFAOYSA-N
XLogP1.41
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate?
The IUPAC name of 2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate (CID 46782229) is 2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate.
What is the SMILES notation for 2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate?
The canonical SMILES for 2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate is CC(=O)OCCc1ccc(C2(C)OCCO2)cn1.
What is the InChIKey of 2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate?
The InChIKey is WPTZWMHTKZOJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-10(15)16-6-5-12-4-3-11(9-14-12)13(2)17-7-8-18-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate?
2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate has a molecular weight of 251.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate is sourced from PubChem (CID 46782229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).