[5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid

C11H16BNO4 — CID 103135576

IUPAC[5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid
SMILESCC1CCC(COc2cncc(B(O)O)c2)O1
InChIInChI=1S/C11H16BNO4/c1-8-2-3-10(17-8)7-16-11-4-9(12(14)15)5-13-6-11/h4-6,8,10,14-15H,2-3,7H2,1H3
InChIKeyKMLLWZGGWZASMJ-UHFFFAOYSA-N
MW237.06 g/mol
LogP-0.29
Rot. Bonds4

About [5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid

[5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid (PubChem CID 103135576) has the molecular formula C11H16BNO4 and a molecular weight of 237.06 g/mol. Its IUPAC name is [5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid
PubChem CID103135576
Molecular FormulaC11H16BNO4
Molecular Weight237.06 g/mol
Exact Mass237.12
IUPAC Name[5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid
SMILESCC1CCC(COc2cncc(B(O)O)c2)O1
InChIInChI=1S/C11H16BNO4/c1-8-2-3-10(17-8)7-16-11-4-9(12(14)15)5-13-6-11/h4-6,8,10,14-15H,2-3,7H2,1H3
InChIKeyKMLLWZGGWZASMJ-UHFFFAOYSA-N
XLogP-0.29
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid?
The IUPAC name of [5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid (CID 103135576) is [5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid.
What is the SMILES notation for [5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid?
The canonical SMILES for [5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid is CC1CCC(COc2cncc(B(O)O)c2)O1.
What is the InChIKey of [5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid?
The InChIKey is KMLLWZGGWZASMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO4/c1-8-2-3-10(17-8)7-16-11-4-9(12(14)15)5-13-6-11/h4-6,8,10,14-15H,2-3,7H2,1H3.
What are the key properties of [5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid?
[5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid has a molecular weight of 237.06 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid is sourced from PubChem (CID 103135576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).