[6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid

C11H16BNO4 — CID 71093696

IUPAC[6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(OCC2CCOCC2)nc1
InChIInChI=1S/C11H16BNO4/c14-12(15)10-1-2-11(13-7-10)17-8-9-3-5-16-6-4-9/h1-2,7,9,14-15H,3-6,8H2
InChIKeyRAVFWPIBFIXOBY-UHFFFAOYSA-N
MW237.06 g/mol
LogP-0.43
Rot. Bonds4

About [6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid

[6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid (PubChem CID 71093696) has the molecular formula C11H16BNO4 and a molecular weight of 237.06 g/mol. Its IUPAC name is [6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid
PubChem CID71093696
Molecular FormulaC11H16BNO4
Molecular Weight237.06 g/mol
Exact Mass237.12
IUPAC Name[6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(OCC2CCOCC2)nc1
InChIInChI=1S/C11H16BNO4/c14-12(15)10-1-2-11(13-7-10)17-8-9-3-5-16-6-4-9/h1-2,7,9,14-15H,3-6,8H2
InChIKeyRAVFWPIBFIXOBY-UHFFFAOYSA-N
XLogP-0.43
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 ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid
CID 62386802
[3-methyl-4-(oxan-4-ylmethoxy)phenyl]boronic acid
CID 63216780
N,N-dimethyl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815390
5-chloro-2-(oxolan-3-ylmethoxy)pyridine
CID 66234571
[6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate
CID 175749416
6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 55066392
N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815403
N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815404
N-(furan-2-ylmethyl)-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815405
5-chloro-2-(cyclopropylmethoxy)pyridine
CID 66234565
[6-(oxan-4-ylmethoxy)pyrazin-2-yl]hydrazine
CID 80924977
2-(oxan-4-ylmethoxy)pyridin-4-amine
CID 62381987

Frequently Asked Questions

What is the IUPAC name of [6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid (CID 71093696) is [6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid is OB(O)c1ccc(OCC2CCOCC2)nc1.
What is the InChIKey of [6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid?
The InChIKey is RAVFWPIBFIXOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO4/c14-12(15)10-1-2-11(13-7-10)17-8-9-3-5-16-6-4-9/h1-2,7,9,14-15H,3-6,8H2.
What are the key properties of [6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid?
[6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid has a molecular weight of 237.06 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(oxan-4-ylmethoxy)-3-pyridinyl]boronic acid is sourced from PubChem (CID 71093696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).