pyridin-2-ylmethyl 3-trimethylsilylpropanoate

C12H19NO2Si — CID 11962004

IUPACpyridin-2-ylmethyl 3-trimethylsilylpropanoate
SMILESC[Si](C)(C)CCC(=O)OCc1ccccn1
InChIInChI=1S/C12H19NO2Si/c1-16(2,3)9-7-12(14)15-10-11-6-4-5-8-13-11/h4-6,8H,7,9-10H2,1-3H3
InChIKeyPCSICEAFNFPYSG-UHFFFAOYSA-N
MW237.38 g/mol
LogP2.85
Rot. Bonds5

About pyridin-2-ylmethyl 3-trimethylsilylpropanoate

pyridin-2-ylmethyl 3-trimethylsilylpropanoate (PubChem CID 11962004) has the molecular formula C12H19NO2Si and a molecular weight of 237.38 g/mol. Its IUPAC name is pyridin-2-ylmethyl 3-trimethylsilylpropanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 3-trimethylsilylpropanoate
PubChem CID11962004
Molecular FormulaC12H19NO2Si
Molecular Weight237.38 g/mol
Exact Mass237.12
IUPAC Namepyridin-2-ylmethyl 3-trimethylsilylpropanoate
SMILESC[Si](C)(C)CCC(=O)OCc1ccccn1
InChIInChI=1S/C12H19NO2Si/c1-16(2,3)9-7-12(14)15-10-11-6-4-5-8-13-11/h4-6,8H,7,9-10H2,1-3H3
InChIKeyPCSICEAFNFPYSG-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 5-oxooctadecanoate
CID 91700204
pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
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CID 135348662
pyridin-2-ylmethyl N,N-bis(sulfanyl)carbamate
CID 91115950
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
pyridin-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61320697
propanamide;pyridin-2-ylmethyl 3-oxobutanoate
CID 175608980
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CID 135060944
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
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bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
pyridin-2-ylmethyl 2-hydroxybenzoate
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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 3-trimethylsilylpropanoate?
The IUPAC name of pyridin-2-ylmethyl 3-trimethylsilylpropanoate (CID 11962004) is pyridin-2-ylmethyl 3-trimethylsilylpropanoate.
What is the SMILES notation for pyridin-2-ylmethyl 3-trimethylsilylpropanoate?
The canonical SMILES for pyridin-2-ylmethyl 3-trimethylsilylpropanoate is C[Si](C)(C)CCC(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 3-trimethylsilylpropanoate?
The InChIKey is PCSICEAFNFPYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2Si/c1-16(2,3)9-7-12(14)15-10-11-6-4-5-8-13-11/h4-6,8H,7,9-10H2,1-3H3.
What are the key properties of pyridin-2-ylmethyl 3-trimethylsilylpropanoate?
pyridin-2-ylmethyl 3-trimethylsilylpropanoate has a molecular weight of 237.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 3-trimethylsilylpropanoate is sourced from PubChem (CID 11962004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).