2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid

C16H27NO3Si — CID 152590073

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid
SMILESCC(C)(Cc1ncccc1C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27NO3Si/c1-15(2,3)21(6,7)20-16(4,5)11-13-12(14(18)19)9-8-10-17-13/h8-10H,11H2,1-7H3,(H,18,19)
InChIKeyYVHIPOWTPWFGMK-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.12
Rot. Bonds5

About 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid

2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid (PubChem CID 152590073) has the molecular formula C16H27NO3Si and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid
PubChem CID152590073
Molecular FormulaC16H27NO3Si
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid
SMILESCC(C)(Cc1ncccc1C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27NO3Si/c1-15(2,3)21(6,7)20-16(4,5)11-13-12(14(18)19)9-8-10-17-13/h8-10H,11H2,1-7H3,(H,18,19)
InChIKeyYVHIPOWTPWFGMK-UHFFFAOYSA-N
XLogP4.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic 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

2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-(2-acetyloxyethyl)pyridine-3-carboxylic acid
CID 166055626
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
CID 151293297
methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate
CID 153494128
2-(3-carboxy-2,3-dihydroxybutyl)pyridine-3-carboxylic acid
CID 175980080
2-tert-butylpyridine-3-carboxylic acid
CID 20815660
3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid
CID 156632330
2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid
CID 129319079
2-[(2S)-3-carboxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 163000699
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid (CID 152590073) is 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid is CC(C)(Cc1ncccc1C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid?
The InChIKey is YVHIPOWTPWFGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3Si/c1-15(2,3)21(6,7)20-16(4,5)11-13-12(14(18)19)9-8-10-17-13/h8-10H,11H2,1-7H3,(H,18,19).
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid?
2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid has a molecular weight of 309.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 152590073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).