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

C12H15NO5 — CID 66630587

IUPAC[5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccc(OCC2OCCO2)cn1
InChIInChI=1S/C12H15NO5/c1-9(14)17-7-10-2-3-11(6-13-10)18-8-12-15-4-5-16-12/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyLTMCJECTSBCXBL-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.90
Rot. Bonds5

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

[5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate (PubChem CID 66630587) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is [5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate
PubChem CID66630587
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name[5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccc(OCC2OCCO2)cn1
InChIInChI=1S/C12H15NO5/c1-9(14)17-7-10-2-3-11(6-13-10)18-8-12-15-4-5-16-12/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyLTMCJECTSBCXBL-UHFFFAOYSA-N
XLogP0.90
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;(5-methyl-2-pyridinyl)methyl acetate
CID 162312014
[5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate
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CID 54470383
(5-bromo-2-pyridinyl)methyl acetate
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(5-chloro-2-pyridinyl)methyl acetate
CID 14517150
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate
CID 59478480
2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane
CID 82080263
(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate
CID 22047300
[5-(cyclopropylmethoxy)-2-pyridinyl]methanamine
CID 79787621
[9-(acetyloxymethyl)-1,10-phenanthrolin-2-yl]methyl acetate
CID 10969381
furo[2,3-c]pyridin-5-ylmethyl acetate
CID 22047292

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate?
The IUPAC name of [5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate (CID 66630587) is [5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate.
What is the SMILES notation for [5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate?
The canonical SMILES for [5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate is CC(=O)OCc1ccc(OCC2OCCO2)cn1.
What is the InChIKey of [5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate?
The InChIKey is LTMCJECTSBCXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-9(14)17-7-10-2-3-11(6-13-10)18-8-12-15-4-5-16-12/h2-3,6,12H,4-5,7-8H2,1H3.
What are the key properties of [5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate?
[5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate has a molecular weight of 253.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate is sourced from PubChem (CID 66630587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).