[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid

C13H24BNO4Si — CID 140786801

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid
SMILESCOc1ccc(B(O)O)c(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C13H24BNO4Si/c1-13(2,3)20(5,6)19-9-11-10(14(16)17)7-8-12(15-11)18-4/h7-8,16-17H,9H2,1-6H3
InChIKeyAOCQJFVYEOPPBY-UHFFFAOYSA-N
MW297.24 g/mol
LogP1.29
Rot. Bonds5

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid (PubChem CID 140786801) has the molecular formula C13H24BNO4Si and a molecular weight of 297.24 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid
PubChem CID140786801
Molecular FormulaC13H24BNO4Si
Molecular Weight297.24 g/mol
Exact Mass297.16
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid
SMILESCOc1ccc(B(O)O)c(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C13H24BNO4Si/c1-13(2,3)20(5,6)19-9-11-10(14(16)17)7-8-12(15-11)18-4/h7-8,16-17H,9H2,1-6H3
InChIKeyAOCQJFVYEOPPBY-UHFFFAOYSA-N
XLogP1.29
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid (CID 140786801) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid is COc1ccc(B(O)O)c(CO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid?
The InChIKey is AOCQJFVYEOPPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BNO4Si/c1-13(2,3)20(5,6)19-9-11-10(14(16)17)7-8-12(15-11)18-4/h7-8,16-17H,9H2,1-6H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid has a molecular weight of 297.24 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid is sourced from PubChem (CID 140786801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).