[2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid

C19H18BNO4 — CID 53216531

IUPAC[2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C19H18BNO4/c22-20(23)17-11-12-18(24-13-15-7-3-1-4-8-15)21-19(17)25-14-16-9-5-2-6-10-16/h1-12,22-23H,13-14H2
InChIKeyKWEZFPLDOCKBPB-UHFFFAOYSA-N
MW335.17 g/mol
LogP1.92
Rot. Bonds7

About [2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid

[2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid (PubChem CID 53216531) has the molecular formula C19H18BNO4 and a molecular weight of 335.17 g/mol. Its IUPAC name is [2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid
PubChem CID53216531
Molecular FormulaC19H18BNO4
Molecular Weight335.17 g/mol
Exact Mass335.13
IUPAC Name[2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C19H18BNO4/c22-20(23)17-11-12-18(24-13-15-7-3-1-4-8-15)21-19(17)25-14-16-9-5-2-6-10-16/h1-12,22-23H,13-14H2
InChIKeyKWEZFPLDOCKBPB-UHFFFAOYSA-N
XLogP1.92
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 51.92
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 [2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid?
The IUPAC name of [2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid (CID 53216531) is [2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid.
What is the SMILES notation for [2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid?
The canonical SMILES for [2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid is OB(O)c1ccc(OCc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of [2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid?
The InChIKey is KWEZFPLDOCKBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BNO4/c22-20(23)17-11-12-18(24-13-15-7-3-1-4-8-15)21-19(17)25-14-16-9-5-2-6-10-16/h1-12,22-23H,13-14H2.
What are the key properties of [2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid?
[2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid has a molecular weight of 335.17 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(phenylmethoxy)-3-pyridinyl]boronic acid is sourced from PubChem (CID 53216531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).