(6-propan-2-yl-3-pyridinyl)oxyboronic acid

C8H12BNO3 — CID 165177668

IUPAC(6-propan-2-yl-3-pyridinyl)oxyboronic acid
SMILESCC(C)c1ccc(OB(O)O)cn1
InChIInChI=1S/C8H12BNO3/c1-6(2)8-4-3-7(5-10-8)13-9(11)12/h3-6,11-12H,1-2H3
InChIKeyJFGYYICCHUCHJT-UHFFFAOYSA-N
MW181.00 g/mol
LogP0.55
Rot. Bonds3

About (6-propan-2-yl-3-pyridinyl)oxyboronic acid

(6-propan-2-yl-3-pyridinyl)oxyboronic acid (PubChem CID 165177668) has the molecular formula C8H12BNO3 and a molecular weight of 181.00 g/mol. Its IUPAC name is (6-propan-2-yl-3-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(6-propan-2-yl-3-pyridinyl)oxyboronic acid
PubChem CID165177668
Molecular FormulaC8H12BNO3
Molecular Weight181.00 g/mol
Exact Mass181.09
IUPAC Name(6-propan-2-yl-3-pyridinyl)oxyboronic acid
SMILESCC(C)c1ccc(OB(O)O)cn1
InChIInChI=1S/C8H12BNO3/c1-6(2)8-4-3-7(5-10-8)13-9(11)12/h3-6,11-12H,1-2H3
InChIKeyJFGYYICCHUCHJT-UHFFFAOYSA-N
XLogP0.55
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.00
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-propan-2-yl-3-pyridinyl)oxyboronic 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

5-[(2-methylpropan-2-yl)oxy]-2-propan-2-ylpyridine
CID 59278573
(6-phenyl-3-pyridinyl)oxyboronic acid
CID 71236439
5-(2-fluoroethoxy)-2-propan-2-ylpyridine
CID 58448814
5-(3-methoxypropoxy)-2-propan-2-ylpyridine
CID 58448811
[6-(trifluoromethyl)-3-pyridinyl]oxyboronic acid
CID 53302034
CID 171408447
CID 171408447
ethane;5-methyl-2-propan-2-ylpyridine
CID 178109062
(4-trimethylsilylphenoxy)boronic acid
CID 142771176
1-(5-propoxy-2-pyridinyl)ethanol
CID 174643637
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412
[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxyboronic acid
CID 177254543
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141

Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yl-3-pyridinyl)oxyboronic acid?
The IUPAC name of (6-propan-2-yl-3-pyridinyl)oxyboronic acid (CID 165177668) is (6-propan-2-yl-3-pyridinyl)oxyboronic acid.
What is the SMILES notation for (6-propan-2-yl-3-pyridinyl)oxyboronic acid?
The canonical SMILES for (6-propan-2-yl-3-pyridinyl)oxyboronic acid is CC(C)c1ccc(OB(O)O)cn1.
What is the InChIKey of (6-propan-2-yl-3-pyridinyl)oxyboronic acid?
The InChIKey is JFGYYICCHUCHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BNO3/c1-6(2)8-4-3-7(5-10-8)13-9(11)12/h3-6,11-12H,1-2H3.
What are the key properties of (6-propan-2-yl-3-pyridinyl)oxyboronic acid?
(6-propan-2-yl-3-pyridinyl)oxyboronic acid has a molecular weight of 181.00 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yl-3-pyridinyl)oxyboronic acid is sourced from PubChem (CID 165177668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).