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

C9H10BrF3N2O — CID 103961989

IUPAC3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one
SMILESNc1cn(CCCC(F)(F)F)cc(Br)c1=O
InChIInChI=1S/C9H10BrF3N2O/c10-6-4-15(5-7(14)8(6)16)3-1-2-9(11,12)13/h4-5H,1-3,14H2
InChIKeyKYPWXJLZKMEVHM-UHFFFAOYSA-N
MW299.09 g/mol
LogP2.54
Rot. Bonds3

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

3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one (PubChem CID 103961989) has the molecular formula C9H10BrF3N2O and a molecular weight of 299.09 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one
PubChem CID103961989
Molecular FormulaC9H10BrF3N2O
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one
SMILESNc1cn(CCCC(F)(F)F)cc(Br)c1=O
InChIInChI=1S/C9H10BrF3N2O/c10-6-4-15(5-7(14)8(6)16)3-1-2-9(11,12)13/h4-5H,1-3,14H2
InChIKeyKYPWXJLZKMEVHM-UHFFFAOYSA-N
XLogP2.54
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 52.54
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-(4,4,4-trifluorobutyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one (CID 103961989) is 3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one is Nc1cn(CCCC(F)(F)F)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one?
The InChIKey is KYPWXJLZKMEVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O/c10-6-4-15(5-7(14)8(6)16)3-1-2-9(11,12)13/h4-5H,1-3,14H2.
What are the key properties of 3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one?
3-amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one has a molecular weight of 299.09 g/mol, XLogP of 2.54, 3 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-(4,4,4-trifluorobutyl)pyridin-4-one is sourced from PubChem (CID 103961989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).