(6-hexoxy-3-pyridinyl)boronic acid

C11H18BNO3 — CID 22112571

IUPAC(6-hexoxy-3-pyridinyl)boronic acid
SMILESCCCCCCOc1ccc(B(O)O)cn1
InChIInChI=1S/C11H18BNO3/c1-2-3-4-5-8-16-11-7-6-10(9-13-11)12(14)15/h6-7,9,14-15H,2-5,8H2,1H3
InChIKeyMPANAQLDOQOWPC-UHFFFAOYSA-N
MW223.08 g/mol
LogP0.72
Rot. Bonds7

About (6-hexoxy-3-pyridinyl)boronic acid

(6-hexoxy-3-pyridinyl)boronic acid (PubChem CID 22112571) has the molecular formula C11H18BNO3 and a molecular weight of 223.08 g/mol. Its IUPAC name is (6-hexoxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-hexoxy-3-pyridinyl)boronic acid
PubChem CID22112571
Molecular FormulaC11H18BNO3
Molecular Weight223.08 g/mol
Exact Mass223.14
IUPAC Name(6-hexoxy-3-pyridinyl)boronic acid
SMILESCCCCCCOc1ccc(B(O)O)cn1
InChIInChI=1S/C11H18BNO3/c1-2-3-4-5-8-16-11-7-6-10(9-13-11)12(14)15/h6-7,9,14-15H,2-5,8H2,1H3
InChIKeyMPANAQLDOQOWPC-UHFFFAOYSA-N
XLogP0.72
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.08
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-hexoxy-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

Related Compounds

Pyriproxyfen
CID 91753
2-Methoxypyridine
CID 74201
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
5-Amino-2-butoxypyridine
CID 68314
2-Ethoxypyridine
CID 84499
2,6-Bis(2-(dimethylamino)ethoxy)pyridine
CID 96392
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
(6-Phenoxypyridin-3-yl)methanol
CID 2776502
Allyl 2-pyridyl ether
CID 79906
2-(Benzyloxy)pyridine
CID 295859
(6-Methoxypyridin-3-yl)boronic acid
CID 2734368
(2-Methoxypyridin-3-yl)boronic acid
CID 2762709

Frequently Asked Questions

What is the IUPAC name of (6-hexoxy-3-pyridinyl)boronic acid?
The IUPAC name of (6-hexoxy-3-pyridinyl)boronic acid (CID 22112571) is (6-hexoxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-hexoxy-3-pyridinyl)boronic acid?
The canonical SMILES for (6-hexoxy-3-pyridinyl)boronic acid is CCCCCCOc1ccc(B(O)O)cn1.
What is the InChIKey of (6-hexoxy-3-pyridinyl)boronic acid?
The InChIKey is MPANAQLDOQOWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BNO3/c1-2-3-4-5-8-16-11-7-6-10(9-13-11)12(14)15/h6-7,9,14-15H,2-5,8H2,1H3.
What are the key properties of (6-hexoxy-3-pyridinyl)boronic acid?
(6-hexoxy-3-pyridinyl)boronic acid has a molecular weight of 223.08 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hexoxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 22112571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).