[2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid

C11H16BNO5 — CID 175662927

IUPAC[2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid
SMILESCOc1nccc(B(O)O)c1C(=O)OC(C)(C)C
InChIInChI=1S/C11H16BNO5/c1-11(2,3)18-10(14)8-7(12(15)16)5-6-13-9(8)17-4/h5-6,15-16H,1-4H3
InChIKeyRJYVFGLQJDDXSW-UHFFFAOYSA-N
MW253.06 g/mol
LogP-0.27
Rot. Bonds3

About [2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid

[2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid (PubChem CID 175662927) has the molecular formula C11H16BNO5 and a molecular weight of 253.06 g/mol. Its IUPAC name is [2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid
PubChem CID175662927
Molecular FormulaC11H16BNO5
Molecular Weight253.06 g/mol
Exact Mass253.11
IUPAC Name[2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid
SMILESCOc1nccc(B(O)O)c1C(=O)OC(C)(C)C
InChIInChI=1S/C11H16BNO5/c1-11(2,3)18-10(14)8-7(12(15)16)5-6-13-9(8)17-4/h5-6,15-16H,1-4H3
InChIKeyRJYVFGLQJDDXSW-UHFFFAOYSA-N
XLogP-0.27
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.06
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-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

ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate
CID 67159419
tert-butyl 3-[(3-acetyl-2-methoxy-4-pyridinyl)oxymethyl]-3-(hydroxymethyl)azetidine-1-carboxylate
CID 163407431
tert-butyl 2-bromo-4-chloropyridine-3-carboxylate
CID 166524653
tert-butyl 2-amino-4-iodopyridine-3-carboxylate
CID 154073429
tert-butyl 4-amino-2-fluoropyridine-3-carboxylate
CID 133062943
2,4-dimethoxypyridine-3-carboxamide
CID 22356790
2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 56923796
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 170171990
tetratert-butyl (3aS,6aS)-2,5-dimethoxy-1,3a,4,6a-tetrahydropentalene-1,3,4,6-tetracarboxylate
CID 155930446
tert-butyl 2-amino-4-cyanopyridine-3-carboxylate
CID 57364515
tert-butyl 5-chloro-6-methoxypyridine-3-carboxylate
CID 133063146
tert-butyl 2-methoxy-6-methylbenzoate
CID 122173281

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid?
The IUPAC name of [2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid (CID 175662927) is [2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid.
What is the SMILES notation for [2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid?
The canonical SMILES for [2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid is COc1nccc(B(O)O)c1C(=O)OC(C)(C)C.
What is the InChIKey of [2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid?
The InChIKey is RJYVFGLQJDDXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO5/c1-11(2,3)18-10(14)8-7(12(15)16)5-6-13-9(8)17-4/h5-6,15-16H,1-4H3.
What are the key properties of [2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid?
[2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid has a molecular weight of 253.06 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridinyl]boronic acid is sourced from PubChem (CID 175662927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).