3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one

C7H6BrF3N2O — CID 103961841

IUPAC3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESNc1cn(CC(F)(F)F)cc(Br)c1=O
InChIInChI=1S/C7H6BrF3N2O/c8-4-1-13(3-7(9,10)11)2-5(12)6(4)14/h1-2H,3,12H2
InChIKeyIRCXCVIPOJXNRN-UHFFFAOYSA-N
MW271.04 g/mol
LogP1.76
Rot. Bonds1

About 3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one

3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one (PubChem CID 103961841) has the molecular formula C7H6BrF3N2O and a molecular weight of 271.04 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one
PubChem CID103961841
Molecular FormulaC7H6BrF3N2O
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Name3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESNc1cn(CC(F)(F)F)cc(Br)c1=O
InChIInChI=1S/C7H6BrF3N2O/c8-4-1-13(3-7(9,10)11)2-5(12)6(4)14/h1-2H,3,12H2
InChIKeyIRCXCVIPOJXNRN-UHFFFAOYSA-N
XLogP1.76
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one (CID 103961841) is 3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one is Nc1cn(CC(F)(F)F)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The InChIKey is IRCXCVIPOJXNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O/c8-4-1-13(3-7(9,10)11)2-5(12)6(4)14/h1-2H,3,12H2.
What are the key properties of 3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one?
3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one has a molecular weight of 271.04 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(2,2,2-trifluoroethyl)pyridin-4-one is sourced from PubChem (CID 103961841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).