3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C9H9BrF3NO — CID 53217377

IUPAC3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1cc(C(F)(F)F)cc(Br)c1=O
InChIInChI=1S/C9H9BrF3NO/c1-5(2)14-4-6(9(11,12)13)3-7(10)8(14)15/h3-5H,1-2H3
InChIKeySWDPZMKSKVHXJZ-UHFFFAOYSA-N
MW284.08 g/mol
LogP3.21
Rot. Bonds1

About 3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 53217377) has the molecular formula C9H9BrF3NO and a molecular weight of 284.08 g/mol. Its IUPAC name is 3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID53217377
Molecular FormulaC9H9BrF3NO
Molecular Weight284.08 g/mol
Exact Mass282.98
IUPAC Name3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1cc(C(F)(F)F)cc(Br)c1=O
InChIInChI=1S/C9H9BrF3NO/c1-5(2)14-4-6(9(11,12)13)3-7(10)8(14)15/h3-5H,1-2H3
InChIKeySWDPZMKSKVHXJZ-UHFFFAOYSA-N
XLogP3.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 53217377) is 3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC(C)n1cc(C(F)(F)F)cc(Br)c1=O.
What is the InChIKey of 3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is SWDPZMKSKVHXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c1-5(2)14-4-6(9(11,12)13)3-7(10)8(14)15/h3-5H,1-2H3.
What are the key properties of 3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 284.08 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 53217377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).