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

C8H11BrN2O2 — CID 103962031

IUPAC3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one
SMILESCC(O)Cn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C8H11BrN2O2/c1-5(12)2-11-3-6(9)8(13)7(10)4-11/h3-5,12H,2,10H2,1H3
InChIKeyLMDCBMUVTYWCGZ-UHFFFAOYSA-N
MW247.09 g/mol
LogP0.57
Rot. Bonds2

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

3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one (PubChem CID 103962031) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one
PubChem CID103962031
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one
SMILESCC(O)Cn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C8H11BrN2O2/c1-5(12)2-11-3-6(9)8(13)7(10)4-11/h3-5,12H,2,10H2,1H3
InChIKeyLMDCBMUVTYWCGZ-UHFFFAOYSA-N
XLogP0.57
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one (CID 103962031) is 3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one is CC(O)Cn1cc(N)c(=O)c(Br)c1.
What is the InChIKey of 3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one?
The InChIKey is LMDCBMUVTYWCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-5(12)2-11-3-6(9)8(13)7(10)4-11/h3-5,12H,2,10H2,1H3.
What are the key properties of 3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one?
3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one has a molecular weight of 247.09 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(2-hydroxypropyl)pyridin-4-one is sourced from PubChem (CID 103962031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).