[6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid

C8H10BNO5 — CID 58006025

IUPAC[6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid
SMILESCOC(=O)COc1ccc(B(O)O)cn1
InChIInChI=1S/C8H10BNO5/c1-14-8(11)5-15-7-3-2-6(4-10-7)9(12)13/h2-4,12-13H,5H2,1H3
InChIKeyRSEOANUIYJWZMM-UHFFFAOYSA-N
MW210.98 g/mol
LogP-1.69
Rot. Bonds4

About [6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid

[6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid (PubChem CID 58006025) has the molecular formula C8H10BNO5 and a molecular weight of 210.98 g/mol. Its IUPAC name is [6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid
PubChem CID58006025
Molecular FormulaC8H10BNO5
Molecular Weight210.98 g/mol
Exact Mass211.07
IUPAC Name[6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid
SMILESCOC(=O)COc1ccc(B(O)O)cn1
InChIInChI=1S/C8H10BNO5/c1-14-8(11)5-15-7-3-2-6(4-10-7)9(12)13/h2-4,12-13H,5H2,1H3
InChIKeyRSEOANUIYJWZMM-UHFFFAOYSA-N
XLogP-1.69
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.98
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid (CID 58006025) is [6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid is COC(=O)COc1ccc(B(O)O)cn1.
What is the InChIKey of [6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid?
The InChIKey is RSEOANUIYJWZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO5/c1-14-8(11)5-15-7-3-2-6(4-10-7)9(12)13/h2-4,12-13H,5H2,1H3.
What are the key properties of [6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid?
[6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid has a molecular weight of 210.98 g/mol, XLogP of -1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxy-2-oxoethoxy)-3-pyridinyl]boronic acid is sourced from PubChem (CID 58006025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).