3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one

C10H13ClF3NOSi — CID 56570581

IUPAC3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one
SMILESC[Si](C)(C)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H13ClF3NOSi/c1-17(2,3)6-15-5-7(10(12,13)14)4-8(11)9(15)16/h4-5H,6H2,1-3H3
InChIKeyJKDPVSICUIMPQQ-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.40
Rot. Bonds2

About 3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one

3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one (PubChem CID 56570581) has the molecular formula C10H13ClF3NOSi and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one
PubChem CID56570581
Molecular FormulaC10H13ClF3NOSi
Molecular Weight283.75 g/mol
Exact Mass283.04
IUPAC Name3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one
SMILESC[Si](C)(C)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H13ClF3NOSi/c1-17(2,3)6-15-5-7(10(12,13)14)4-8(11)9(15)16/h4-5H,6H2,1-3H3
InChIKeyJKDPVSICUIMPQQ-UHFFFAOYSA-N
XLogP3.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.40
H-Bond Donors ≤ 50
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 3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one (CID 56570581) is 3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one is C[Si](C)(C)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one?
The InChIKey is JKDPVSICUIMPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NOSi/c1-17(2,3)6-15-5-7(10(12,13)14)4-8(11)9(15)16/h4-5H,6H2,1-3H3.
What are the key properties of 3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one?
3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one has a molecular weight of 283.75 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one is sourced from PubChem (CID 56570581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).