2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine

C13H19NO5 — CID 13195075

IUPAC2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine
SMILESCCOC1(C)OCC(COc2ncccc2OC)O1
InChIInChI=1S/C13H19NO5/c1-4-17-13(2)18-9-10(19-13)8-16-12-11(15-3)6-5-7-14-12/h5-7,10H,4,8-9H2,1-3H3
InChIKeyWBBLSMNXDKGEOY-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.59
Rot. Bonds6

About 2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine

2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine (PubChem CID 13195075) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine.

Molecular Properties

Compound Name2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine
PubChem CID13195075
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine
SMILESCCOC1(C)OCC(COc2ncccc2OC)O1
InChIInChI=1S/C13H19NO5/c1-4-17-13(2)18-9-10(19-13)8-16-12-11(15-3)6-5-7-14-12/h5-7,10H,4,8-9H2,1-3H3
InChIKeyWBBLSMNXDKGEOY-UHFFFAOYSA-N
XLogP1.59
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine?
The IUPAC name of 2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine (CID 13195075) is 2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine.
What is the SMILES notation for 2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine?
The canonical SMILES for 2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine is CCOC1(C)OCC(COc2ncccc2OC)O1.
What is the InChIKey of 2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine?
The InChIKey is WBBLSMNXDKGEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-4-17-13(2)18-9-10(19-13)8-16-12-11(15-3)6-5-7-14-12/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine?
2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine has a molecular weight of 269.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine is sourced from PubChem (CID 13195075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).