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

C8H10BrFN2O — CID 104505728

IUPAC5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one
SMILESCc1c(N)cn(CCF)c(=O)c1Br
InChIInChI=1S/C8H10BrFN2O/c1-5-6(11)4-12(3-2-10)8(13)7(5)9/h4H,2-3,11H2,1H3
InChIKeyQMQILFHIQMKGOX-UHFFFAOYSA-N
MW249.08 g/mol
LogP1.47
Rot. Bonds2

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

5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one (PubChem CID 104505728) has the molecular formula C8H10BrFN2O and a molecular weight of 249.08 g/mol. Its IUPAC name is 5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one
PubChem CID104505728
Molecular FormulaC8H10BrFN2O
Molecular Weight249.08 g/mol
Exact Mass248.00
IUPAC Name5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one
SMILESCc1c(N)cn(CCF)c(=O)c1Br
InChIInChI=1S/C8H10BrFN2O/c1-5-6(11)4-12(3-2-10)8(13)7(5)9/h4H,2-3,11H2,1H3
InChIKeyQMQILFHIQMKGOX-UHFFFAOYSA-N
XLogP1.47
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 51.47
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-(2-fluoroethyl)-4-methylpyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one (CID 104505728) is 5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one is Cc1c(N)cn(CCF)c(=O)c1Br.
What is the InChIKey of 5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one?
The InChIKey is QMQILFHIQMKGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O/c1-5-6(11)4-12(3-2-10)8(13)7(5)9/h4H,2-3,11H2,1H3.
What are the key properties of 5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one?
5-amino-3-bromo-1-(2-fluoroethyl)-4-methylpyridin-2-one has a molecular weight of 249.08 g/mol, XLogP of 1.47, 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-(2-fluoroethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 104505728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).