3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one

C8H10BrFN2O — CID 130561442

IUPAC3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one
SMILESNCc1cc(Br)cn(CCF)c1=O
InChIInChI=1S/C8H10BrFN2O/c9-7-3-6(4-11)8(13)12(5-7)2-1-10/h3,5H,1-2,4,11H2
InChIKeyQIIAWEPLJWFYLC-UHFFFAOYSA-N
MW249.08 g/mol
LogP1.04
Rot. Bonds3

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

3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one (PubChem CID 130561442) has the molecular formula C8H10BrFN2O and a molecular weight of 249.08 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one
PubChem CID130561442
Molecular FormulaC8H10BrFN2O
Molecular Weight249.08 g/mol
Exact Mass248.00
IUPAC Name3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one
SMILESNCc1cc(Br)cn(CCF)c1=O
InChIInChI=1S/C8H10BrFN2O/c9-7-3-6(4-11)8(13)12(5-7)2-1-10/h3,5H,1-2,4,11H2
InChIKeyQIIAWEPLJWFYLC-UHFFFAOYSA-N
XLogP1.04
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one (CID 130561442) is 3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one is NCc1cc(Br)cn(CCF)c1=O.
What is the InChIKey of 3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one?
The InChIKey is QIIAWEPLJWFYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O/c9-7-3-6(4-11)8(13)12(5-7)2-1-10/h3,5H,1-2,4,11H2.
What are the key properties of 3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one?
3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one has a molecular weight of 249.08 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-1-(2-fluoroethyl)pyridin-2-one is sourced from PubChem (CID 130561442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).