6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one

C17H24F3NOSi — CID 167476535

IUPAC6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one
SMILESCC(C)[Si](C#Cc1cc(C(F)(F)F)[nH]c(=O)c1)(C(C)C)C(C)C
InChIInChI=1S/C17H24F3NOSi/c1-11(2)23(12(3)4,13(5)6)8-7-14-9-15(17(18,19)20)21-16(22)10-14/h9-13H,1-6H3,(H,21,22)
InChIKeyHKOKSBFGFQTNAP-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.96
Rot. Bonds3

About 6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one

6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one (PubChem CID 167476535) has the molecular formula C17H24F3NOSi and a molecular weight of 343.47 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one
PubChem CID167476535
Molecular FormulaC17H24F3NOSi
Molecular Weight343.47 g/mol
Exact Mass343.16
IUPAC Name6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one
SMILESCC(C)[Si](C#Cc1cc(C(F)(F)F)[nH]c(=O)c1)(C(C)C)C(C)C
InChIInChI=1S/C17H24F3NOSi/c1-11(2)23(12(3)4,13(5)6)8-7-14-9-15(17(18,19)20)21-16(22)10-14/h9-13H,1-6H3,(H,21,22)
InChIKeyHKOKSBFGFQTNAP-UHFFFAOYSA-N
XLogP4.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one?
The IUPAC name of 6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one (CID 167476535) is 6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one is CC(C)[Si](C#Cc1cc(C(F)(F)F)[nH]c(=O)c1)(C(C)C)C(C)C.
What is the InChIKey of 6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one?
The InChIKey is HKOKSBFGFQTNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NOSi/c1-11(2)23(12(3)4,13(5)6)8-7-14-9-15(17(18,19)20)21-16(22)10-14/h9-13H,1-6H3,(H,21,22).
What are the key properties of 6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one?
6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one has a molecular weight of 343.47 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one is sourced from PubChem (CID 167476535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).