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

C7H8BrFN2O — CID 103962024

IUPAC3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one
SMILESNc1cn(CCF)cc(Br)c1=O
InChIInChI=1S/C7H8BrFN2O/c8-5-3-11(2-1-9)4-6(10)7(5)12/h3-4H,1-2,10H2
InChIKeyREPVFIMEGWBHTM-UHFFFAOYSA-N
MW235.06 g/mol
LogP1.16
Rot. Bonds2

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

3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one (PubChem CID 103962024) has the molecular formula C7H8BrFN2O and a molecular weight of 235.06 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one
PubChem CID103962024
Molecular FormulaC7H8BrFN2O
Molecular Weight235.06 g/mol
Exact Mass233.98
IUPAC Name3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one
SMILESNc1cn(CCF)cc(Br)c1=O
InChIInChI=1S/C7H8BrFN2O/c8-5-3-11(2-1-9)4-6(10)7(5)12/h3-4H,1-2,10H2
InChIKeyREPVFIMEGWBHTM-UHFFFAOYSA-N
XLogP1.16
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103961916
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CID 103961973
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CID 103961989
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CID 165480842
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CID 165607390
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CID 165717986
CID 165717986

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one (CID 103962024) is 3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one is Nc1cn(CCF)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one?
The InChIKey is REPVFIMEGWBHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2O/c8-5-3-11(2-1-9)4-6(10)7(5)12/h3-4H,1-2,10H2.
What are the key properties of 3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one?
3-amino-5-bromo-1-(2-fluoroethyl)pyridin-4-one has a molecular weight of 235.06 g/mol, XLogP of 1.16, 2 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-(2-fluoroethyl)pyridin-4-one is sourced from PubChem (CID 103962024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).