3-amino-5-bromo-1-ethylpyridin-4-one

C7H9BrN2O — CID 71756678

IUPAC3-amino-5-bromo-1-ethylpyridin-4-one
SMILESCCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C7H9BrN2O/c1-2-10-3-5(8)7(11)6(9)4-10/h3-4H,2,9H2,1H3
InChIKeyIVQPJXIZBXFPEJ-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.21
Rot. Bonds1

About 3-amino-5-bromo-1-ethylpyridin-4-one

3-amino-5-bromo-1-ethylpyridin-4-one (PubChem CID 71756678) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 3-amino-5-bromo-1-ethylpyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-ethylpyridin-4-one
PubChem CID71756678
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name3-amino-5-bromo-1-ethylpyridin-4-one
SMILESCCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C7H9BrN2O/c1-2-10-3-5(8)7(11)6(9)4-10/h3-4H,2,9H2,1H3
InChIKeyIVQPJXIZBXFPEJ-UHFFFAOYSA-N
XLogP1.21
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-ethylpyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-ethylpyridin-4-one (CID 71756678) is 3-amino-5-bromo-1-ethylpyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-ethylpyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-ethylpyridin-4-one is CCn1cc(N)c(=O)c(Br)c1.
What is the InChIKey of 3-amino-5-bromo-1-ethylpyridin-4-one?
The InChIKey is IVQPJXIZBXFPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-2-10-3-5(8)7(11)6(9)4-10/h3-4H,2,9H2,1H3.
What are the key properties of 3-amino-5-bromo-1-ethylpyridin-4-one?
3-amino-5-bromo-1-ethylpyridin-4-one has a molecular weight of 217.07 g/mol, XLogP of 1.21, 1 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-ethylpyridin-4-one is sourced from PubChem (CID 71756678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).