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

C13H21NO3Si — CID 53359082

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1C(=O)O
InChIInChI=1S/C13H21NO3Si/c1-13(2,3)18(4,5)17-9-10-7-6-8-14-11(10)12(15)16/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyXSLLNZNZOMCFMQ-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.30
Rot. Bonds4

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

3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid (PubChem CID 53359082) has the molecular formula C13H21NO3Si and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid
PubChem CID53359082
Molecular FormulaC13H21NO3Si
Molecular Weight267.40 g/mol
Exact Mass267.13
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1C(=O)O
InChIInChI=1S/C13H21NO3Si/c1-13(2,3)18(4,5)17-9-10-7-6-8-14-11(10)12(15)16/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyXSLLNZNZOMCFMQ-UHFFFAOYSA-N
XLogP3.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid (CID 53359082) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid is CC(C)(C)[Si](C)(C)OCc1cccnc1C(=O)O.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid?
The InChIKey is XSLLNZNZOMCFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3Si/c1-13(2,3)18(4,5)17-9-10-7-6-8-14-11(10)12(15)16/h6-8H,9H2,1-5H3,(H,15,16).
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid has a molecular weight of 267.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 53359082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).