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

C8H8BrF3N2O — CID 103961883

IUPAC3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one
SMILESNc1cn(CCC(F)(F)F)cc(Br)c1=O
InChIInChI=1S/C8H8BrF3N2O/c9-5-3-14(2-1-8(10,11)12)4-6(13)7(5)15/h3-4H,1-2,13H2
InChIKeyQBCDFQPLFCRZMS-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.15
Rot. Bonds2

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

3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one (PubChem CID 103961883) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one
PubChem CID103961883
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one
SMILESNc1cn(CCC(F)(F)F)cc(Br)c1=O
InChIInChI=1S/C8H8BrF3N2O/c9-5-3-14(2-1-8(10,11)12)4-6(13)7(5)15/h3-4H,1-2,13H2
InChIKeyQBCDFQPLFCRZMS-UHFFFAOYSA-N
XLogP2.15
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 52.15
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-(3,3,3-trifluoropropyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one (CID 103961883) is 3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one is Nc1cn(CCC(F)(F)F)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one?
The InChIKey is QBCDFQPLFCRZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c9-5-3-14(2-1-8(10,11)12)4-6(13)7(5)15/h3-4H,1-2,13H2.
What are the key properties of 3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one?
3-amino-5-bromo-1-(3,3,3-trifluoropropyl)pyridin-4-one has a molecular weight of 285.06 g/mol, XLogP of 2.15, 2 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-(3,3,3-trifluoropropyl)pyridin-4-one is sourced from PubChem (CID 103961883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).