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

C12H19NO3Si — CID 156632330

IUPAC3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cccnc1C(=O)O
InChIInChI=1S/C12H19NO3Si/c1-12(2,3)17(4,5)16-9-7-6-8-13-10(9)11(14)15/h6-8H,1-5H3,(H,14,15)
InChIKeyBFOMEQANSOCTDI-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.16
Rot. Bonds3

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

3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid (PubChem CID 156632330) has the molecular formula C12H19NO3Si and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid
PubChem CID156632330
Molecular FormulaC12H19NO3Si
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cccnc1C(=O)O
InChIInChI=1S/C12H19NO3Si/c1-12(2,3)17(4,5)16-9-7-6-8-13-10(9)11(14)15/h6-8H,1-5H3,(H,14,15)
InChIKeyBFOMEQANSOCTDI-UHFFFAOYSA-N
XLogP3.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyanatopyridine-2-carboxylic acid
CID 130739739
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 175397077
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
tert-butyl 4-(3-hydroxy-2-pyridinyl)-4-oxobutanoate;3-hydroxypyridine-2-carboxylic acid
CID 159457473
3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380273
bromo 3-methoxypyridine-2-carboxylate
CID 71151009
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid
CID 175561795
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid (CID 156632330) is 3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid is CC(C)(C)[Si](C)(C)Oc1cccnc1C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid?
The InChIKey is BFOMEQANSOCTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3Si/c1-12(2,3)17(4,5)16-9-7-6-8-13-10(9)11(14)15/h6-8H,1-5H3,(H,14,15).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid?
3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid has a molecular weight of 253.37 g/mol, XLogP of 3.16, 3 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]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 156632330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).