[5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid

C10H14BNO4 — CID 70976931

IUPAC[5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid
SMILESCOC(=O)C(C)(C)c1cncc(B(O)O)c1
InChIInChI=1S/C10H14BNO4/c1-10(2,9(13)16-3)7-4-8(11(14)15)6-12-5-7/h4-6,14-15H,1-3H3
InChIKeyHVFHFEPSSISTOV-UHFFFAOYSA-N
MW223.04 g/mol
LogP-0.79
Rot. Bonds3

About [5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid

[5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid (PubChem CID 70976931) has the molecular formula C10H14BNO4 and a molecular weight of 223.04 g/mol. Its IUPAC name is [5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid
PubChem CID70976931
Molecular FormulaC10H14BNO4
Molecular Weight223.04 g/mol
Exact Mass223.10
IUPAC Name[5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid
SMILESCOC(=O)C(C)(C)c1cncc(B(O)O)c1
InChIInChI=1S/C10H14BNO4/c1-10(2,9(13)16-3)7-4-8(11(14)15)6-12-5-7/h4-6,14-15H,1-3H3
InChIKeyHVFHFEPSSISTOV-UHFFFAOYSA-N
XLogP-0.79
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-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-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid?
The IUPAC name of [5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid (CID 70976931) is [5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid?
The canonical SMILES for [5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid is COC(=O)C(C)(C)c1cncc(B(O)O)c1.
What is the InChIKey of [5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid?
The InChIKey is HVFHFEPSSISTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BNO4/c1-10(2,9(13)16-3)7-4-8(11(14)15)6-12-5-7/h4-6,14-15H,1-3H3.
What are the key properties of [5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid?
[5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid has a molecular weight of 223.04 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 70976931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).