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

C8H8BrF3N2O — CID 80501874

IUPAC5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CCC(F)(F)F)c1
InChIInChI=1S/C8H8BrF3N2O/c9-6-3-5(13)4-14(7(6)15)2-1-8(10,11)12/h3-4H,1-2,13H2
InChIKeySMODXNNJKFWNGM-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.15
Rot. Bonds2

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

5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one (PubChem CID 80501874) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is 5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one
PubChem CID80501874
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CCC(F)(F)F)c1
InChIInChI=1S/C8H8BrF3N2O/c9-6-3-5(13)4-14(7(6)15)2-1-8(10,11)12/h3-4H,1-2,13H2
InChIKeySMODXNNJKFWNGM-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 5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one (CID 80501874) is 5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one is Nc1cc(Br)c(=O)n(CCC(F)(F)F)c1.
What is the InChIKey of 5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The InChIKey is SMODXNNJKFWNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c9-6-3-5(13)4-14(7(6)15)2-1-8(10,11)12/h3-4H,1-2,13H2.
What are the key properties of 5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one?
5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-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 5-amino-3-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one is sourced from PubChem (CID 80501874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).