5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid

C9H17NO3Si — CID 69027044

IUPAC5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESC[Si](C)(C)OC1=CCCN(C(=O)O)C1
InChIInChI=1S/C9H17NO3Si/c1-14(2,3)13-8-5-4-6-10(7-8)9(11)12/h5H,4,6-7H2,1-3H3,(H,11,12)
InChIKeyPKYUFKQYOFZZBR-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.11
Rot. Bonds2

About 5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid

5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 69027044) has the molecular formula C9H17NO3Si and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID69027044
Molecular FormulaC9H17NO3Si
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESC[Si](C)(C)OC1=CCCN(C(=O)O)C1
InChIInChI=1S/C9H17NO3Si/c1-14(2,3)13-8-5-4-6-10(7-8)9(11)12/h5H,4,6-7H2,1-3H3,(H,11,12)
InChIKeyPKYUFKQYOFZZBR-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 69027044) is 5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid is C[Si](C)(C)OC1=CCCN(C(=O)O)C1.
What is the InChIKey of 5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is PKYUFKQYOFZZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3Si/c1-14(2,3)13-8-5-4-6-10(7-8)9(11)12/h5H,4,6-7H2,1-3H3,(H,11,12).
What are the key properties of 5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 215.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 69027044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).