5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one

C9H12BrFN2O — CID 104505853

IUPAC5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one
SMILESCc1c(N)cn(CCCF)c(=O)c1Br
InChIInChI=1S/C9H12BrFN2O/c1-6-7(12)5-13(4-2-3-11)9(14)8(6)10/h5H,2-4,12H2,1H3
InChIKeyRSCIHUGSKFHPED-UHFFFAOYSA-N
MW263.11 g/mol
LogP1.86
Rot. Bonds3

About 5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one

5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one (PubChem CID 104505853) has the molecular formula C9H12BrFN2O and a molecular weight of 263.11 g/mol. Its IUPAC name is 5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one
PubChem CID104505853
Molecular FormulaC9H12BrFN2O
Molecular Weight263.11 g/mol
Exact Mass262.01
IUPAC Name5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one
SMILESCc1c(N)cn(CCCF)c(=O)c1Br
InChIInChI=1S/C9H12BrFN2O/c1-6-7(12)5-13(4-2-3-11)9(14)8(6)10/h5H,2-4,12H2,1H3
InChIKeyRSCIHUGSKFHPED-UHFFFAOYSA-N
XLogP1.86
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 51.86
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-fluoropropyl)-4-methylpyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one (CID 104505853) is 5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one is Cc1c(N)cn(CCCF)c(=O)c1Br.
What is the InChIKey of 5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one?
The InChIKey is RSCIHUGSKFHPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2O/c1-6-7(12)5-13(4-2-3-11)9(14)8(6)10/h5H,2-4,12H2,1H3.
What are the key properties of 5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one?
5-amino-3-bromo-1-(3-fluoropropyl)-4-methylpyridin-2-one has a molecular weight of 263.11 g/mol, XLogP of 1.86, 3 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-fluoropropyl)-4-methylpyridin-2-one is sourced from PubChem (CID 104505853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).