pyridin-2-ylmethyl 2-trimethylsilylpropanoate

C12H19NO2Si — CID 11962005

IUPACpyridin-2-ylmethyl 2-trimethylsilylpropanoate
SMILESCC(C(=O)OCc1ccccn1)[Si](C)(C)C
InChIInChI=1S/C12H19NO2Si/c1-10(16(2,3)4)12(14)15-9-11-7-5-6-8-13-11/h5-8,10H,9H2,1-4H3
InChIKeySCBOPQDBYUWPPC-UHFFFAOYSA-N
MW237.38 g/mol
LogP2.85
Rot. Bonds4

About pyridin-2-ylmethyl 2-trimethylsilylpropanoate

pyridin-2-ylmethyl 2-trimethylsilylpropanoate (PubChem CID 11962005) has the molecular formula C12H19NO2Si and a molecular weight of 237.38 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-trimethylsilylpropanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-trimethylsilylpropanoate
PubChem CID11962005
Molecular FormulaC12H19NO2Si
Molecular Weight237.38 g/mol
Exact Mass237.12
IUPAC Namepyridin-2-ylmethyl 2-trimethylsilylpropanoate
SMILESCC(C(=O)OCc1ccccn1)[Si](C)(C)C
InChIInChI=1S/C12H19NO2Si/c1-10(16(2,3)4)12(14)15-9-11-7-5-6-8-13-11/h5-8,10H,9H2,1-4H3
InChIKeySCBOPQDBYUWPPC-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
pyridin-2-ylmethyl 3-trimethylsilylpropanoate
CID 11962004
2-amino-3-(pyridin-2-ylmethoxy)propanamide
CID 83213494
pyridin-2-ylmethyl N,N-bis(sulfanyl)carbamate
CID 91115950
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
pyridin-2-ylmethyl 3,3-dimethyl-2-methylidenebutanoate
CID 11458652
pyridin-2-ylmethyl (2S)-2-(2-cyanophenoxy)-3-methylbutanoate
CID 95581106
pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55941598
pyridin-2-ylmethyl 2-cyanoacetate
CID 135348662

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-trimethylsilylpropanoate?
The IUPAC name of pyridin-2-ylmethyl 2-trimethylsilylpropanoate (CID 11962005) is pyridin-2-ylmethyl 2-trimethylsilylpropanoate.
What is the SMILES notation for pyridin-2-ylmethyl 2-trimethylsilylpropanoate?
The canonical SMILES for pyridin-2-ylmethyl 2-trimethylsilylpropanoate is CC(C(=O)OCc1ccccn1)[Si](C)(C)C.
What is the InChIKey of pyridin-2-ylmethyl 2-trimethylsilylpropanoate?
The InChIKey is SCBOPQDBYUWPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2Si/c1-10(16(2,3)4)12(14)15-9-11-7-5-6-8-13-11/h5-8,10H,9H2,1-4H3.
What are the key properties of pyridin-2-ylmethyl 2-trimethylsilylpropanoate?
pyridin-2-ylmethyl 2-trimethylsilylpropanoate has a molecular weight of 237.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-trimethylsilylpropanoate is sourced from PubChem (CID 11962005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).