4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one

C7H5BrF3NO2 — CID 118811454

IUPAC4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1c(Br)cc(OC(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H5BrF3NO2/c1-3-4(8)2-5(12-6(3)13)14-7(9,10)11/h2H,1H3,(H,12,13)
InChIKeyNUUQUBDXAZIRJY-UHFFFAOYSA-N
MW272.02 g/mol
LogP2.34
Rot. Bonds1

About 4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one

4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118811454) has the molecular formula C7H5BrF3NO2 and a molecular weight of 272.02 g/mol. Its IUPAC name is 4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118811454
Molecular FormulaC7H5BrF3NO2
Molecular Weight272.02 g/mol
Exact Mass270.95
IUPAC Name4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1c(Br)cc(OC(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H5BrF3NO2/c1-3-4(8)2-5(12-6(3)13)14-7(9,10)11/h2H,1H3,(H,12,13)
InChIKeyNUUQUBDXAZIRJY-UHFFFAOYSA-N
XLogP2.34
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 118811454) is 4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one is Cc1c(Br)cc(OC(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is NUUQUBDXAZIRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2/c1-3-4(8)2-5(12-6(3)13)14-7(9,10)11/h2H,1H3,(H,12,13).
What are the key properties of 4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 272.02 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118811454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).