5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one

C12H12BrN3O — CID 80501795

IUPAC5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CCc2ccccn2)c1
InChIInChI=1S/C12H12BrN3O/c13-11-7-9(14)8-16(12(11)17)6-4-10-3-1-2-5-15-10/h1-3,5,7-8H,4,6,14H2
InChIKeyPZXBOFFODYSOQV-UHFFFAOYSA-N
MW294.15 g/mol
LogP1.83
Rot. Bonds3

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

5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one (PubChem CID 80501795) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one
PubChem CID80501795
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CCc2ccccn2)c1
InChIInChI=1S/C12H12BrN3O/c13-11-7-9(14)8-16(12(11)17)6-4-10-3-1-2-5-15-10/h1-3,5,7-8H,4,6,14H2
InChIKeyPZXBOFFODYSOQV-UHFFFAOYSA-N
XLogP1.83
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one (CID 80501795) is 5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one is Nc1cc(Br)c(=O)n(CCc2ccccn2)c1.
What is the InChIKey of 5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one?
The InChIKey is PZXBOFFODYSOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-11-7-9(14)8-16(12(11)17)6-4-10-3-1-2-5-15-10/h1-3,5,7-8H,4,6,14H2.
What are the key properties of 5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one?
5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one has a molecular weight of 294.15 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one is sourced from PubChem (CID 80501795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).