1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one

C9H10BrF3N2O — CID 83130606

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(C(CN)C(F)(F)F)c1=O
InChIInChI=1S/C9H10BrF3N2O/c1-5-2-6(10)4-15(8(5)16)7(3-14)9(11,12)13/h2,4,7H,3,14H2,1H3
InChIKeyDUXJYFSKSRWVLZ-UHFFFAOYSA-N
MW299.09 g/mol
LogP1.98
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one

1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one (PubChem CID 83130606) has the molecular formula C9H10BrF3N2O and a molecular weight of 299.09 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one
PubChem CID83130606
Molecular FormulaC9H10BrF3N2O
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(C(CN)C(F)(F)F)c1=O
InChIInChI=1S/C9H10BrF3N2O/c1-5-2-6(10)4-15(8(5)16)7(3-14)9(11,12)13/h2,4,7H,3,14H2,1H3
InChIKeyDUXJYFSKSRWVLZ-UHFFFAOYSA-N
XLogP1.98
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one (CID 83130606) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one is Cc1cc(Br)cn(C(CN)C(F)(F)F)c1=O.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one?
The InChIKey is DUXJYFSKSRWVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O/c1-5-2-6(10)4-15(8(5)16)7(3-14)9(11,12)13/h2,4,7H,3,14H2,1H3.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one?
1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one has a molecular weight of 299.09 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-bromo-3-methylpyridin-2-one is sourced from PubChem (CID 83130606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).