5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one

C9H9BrF3NO2 — CID 83132804

IUPAC5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
SMILESCc1cc(Br)cn(CCOC(F)(F)F)c1=O
InChIInChI=1S/C9H9BrF3NO2/c1-6-4-7(10)5-14(8(6)15)2-3-16-9(11,12)13/h4-5H,2-3H2,1H3
InChIKeyDRKPTESFNUJDSC-UHFFFAOYSA-N
MW300.07 g/mol
LogP2.46
Rot. Bonds3

About 5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one

5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one (PubChem CID 83132804) has the molecular formula C9H9BrF3NO2 and a molecular weight of 300.07 g/mol. Its IUPAC name is 5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
PubChem CID83132804
Molecular FormulaC9H9BrF3NO2
Molecular Weight300.07 g/mol
Exact Mass298.98
IUPAC Name5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
SMILESCc1cc(Br)cn(CCOC(F)(F)F)c1=O
InChIInChI=1S/C9H9BrF3NO2/c1-6-4-7(10)5-14(8(6)15)2-3-16-9(11,12)13/h4-5H,2-3H2,1H3
InChIKeyDRKPTESFNUJDSC-UHFFFAOYSA-N
XLogP2.46
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one (CID 83132804) is 5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one is Cc1cc(Br)cn(CCOC(F)(F)F)c1=O.
What is the InChIKey of 5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The InChIKey is DRKPTESFNUJDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2/c1-6-4-7(10)5-14(8(6)15)2-3-16-9(11,12)13/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one has a molecular weight of 300.07 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 83132804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).