1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one

C10H11ClF3NO — CID 129255530

IUPAC1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(C)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H11ClF3NO/c1-9(2,3)15-5-6(10(12,13)14)4-7(11)8(15)16/h4-5H,1-3H3
InChIKeyBTASQLAFVYEERL-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.28
Rot. Bonds

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

1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one (PubChem CID 129255530) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one
PubChem CID129255530
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(C)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H11ClF3NO/c1-9(2,3)15-5-6(10(12,13)14)4-7(11)8(15)16/h4-5H,1-3H3
InChIKeyBTASQLAFVYEERL-UHFFFAOYSA-N
XLogP3.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one (CID 129255530) is 1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one is CC(C)(C)n1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is BTASQLAFVYEERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-9(2,3)15-5-6(10(12,13)14)4-7(11)8(15)16/h4-5H,1-3H3.
What are the key properties of 1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one?
1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 253.65 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 129255530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).