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

C10H15BrN2O2 — CID 165473601

IUPAC3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one
SMILESCC(C)C(O)Cn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-6(2)9(14)5-13-3-7(11)10(15)8(12)4-13/h3-4,6,9,14H,5,12H2,1-2H3
InChIKeyBWBKFGOFZBDFGF-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.21
Rot. Bonds3

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

3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one (PubChem CID 165473601) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one
PubChem CID165473601
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one
SMILESCC(C)C(O)Cn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-6(2)9(14)5-13-3-7(11)10(15)8(12)4-13/h3-4,6,9,14H,5,12H2,1-2H3
InChIKeyBWBKFGOFZBDFGF-UHFFFAOYSA-N
XLogP1.21
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.21
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-hydroxy-3-methylbutyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one (CID 165473601) is 3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one is CC(C)C(O)Cn1cc(N)c(=O)c(Br)c1.
What is the InChIKey of 3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one?
The InChIKey is BWBKFGOFZBDFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-6(2)9(14)5-13-3-7(11)10(15)8(12)4-13/h3-4,6,9,14H,5,12H2,1-2H3.
What are the key properties of 3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one?
3-amino-5-bromo-1-(2-hydroxy-3-methylbutyl)pyridin-4-one has a molecular weight of 275.15 g/mol, XLogP of 1.21, 3 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-hydroxy-3-methylbutyl)pyridin-4-one is sourced from PubChem (CID 165473601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).