2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide

C12H13F3N2OSi — CID 59829966

IUPAC2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide
SMILESC[Si](C)(C)C#Cc1cccc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C12H13F3N2OSi/c1-19(2,3)8-7-9-5-4-6-10(16-9)17-11(18)12(13,14)15/h4-6H,1-3H3,(H,16,17,18)
InChIKeyLNUUHYZCLGFIOC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.81
Rot. Bonds1

About 2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide

2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide (PubChem CID 59829966) has the molecular formula C12H13F3N2OSi and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide
PubChem CID59829966
Molecular FormulaC12H13F3N2OSi
Molecular Weight286.33 g/mol
Exact Mass286.07
IUPAC Name2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide
SMILESC[Si](C)(C)C#Cc1cccc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C12H13F3N2OSi/c1-19(2,3)8-7-9-5-4-6-10(16-9)17-11(18)12(13,14)15/h4-6H,1-3H3,(H,16,17,18)
InChIKeyLNUUHYZCLGFIOC-UHFFFAOYSA-N
XLogP2.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63644130
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,2-dimethylbutanamide
CID 62677687
2,2-dimethyl-N-(6-phosphanyl-2-pyridinyl)propanamide
CID 70898428
2-(6-fluoro-2-pyridinyl)ethynyl-trimethylsilane
CID 165348883
3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide
CID 2767546
2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane
CID 12967993
6-(2-trimethylsilylethynyl)pyridine-2-carbonitrile
CID 135049966
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60805086
1-ethyl-3-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]urea
CID 60814714
tert-butyl (2S)-2-[[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate
CID 71725570
2,2-dimethyl-N-[6-(nitrosomethyl)-2-pyridinyl]propanamide
CID 90865597
methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate
CID 18953711

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide (CID 59829966) is 2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide is C[Si](C)(C)C#Cc1cccc(NC(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?
The InChIKey is LNUUHYZCLGFIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OSi/c1-19(2,3)8-7-9-5-4-6-10(16-9)17-11(18)12(13,14)15/h4-6H,1-3H3,(H,16,17,18).
What are the key properties of 2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?
2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 59829966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).