3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one

C11H17BrN2O2 — CID 107703765

IUPAC3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one
SMILESNc1cn(CCCCCCO)cc(Br)c1=O
InChIInChI=1S/C11H17BrN2O2/c12-9-7-14(8-10(13)11(9)16)5-3-1-2-4-6-15/h7-8,15H,1-6,13H2
InChIKeySURVMEQYFQANDD-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.75
Rot. Bonds6

About 3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one

3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one (PubChem CID 107703765) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one
PubChem CID107703765
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one
SMILESNc1cn(CCCCCCO)cc(Br)c1=O
InChIInChI=1S/C11H17BrN2O2/c12-9-7-14(8-10(13)11(9)16)5-3-1-2-4-6-15/h7-8,15H,1-6,13H2
InChIKeySURVMEQYFQANDD-UHFFFAOYSA-N
XLogP1.75
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Amino-5-bromo-1-(5-hydroxypentyl)-1,4-dihydropyridin-4-one
CID 103961764
3-Amino-5-bromo-1-(4-hydroxybutyl)-1,4-dihydropyridin-4-one
CID 103961944
3-Amino-5-bromo-1-(3-hydroxypropyl)-1,4-dihydropyridin-4-one
CID 103961967
3-Amino-5-bromo-1-(3-hydroxybutyl)-1,4-dihydropyridin-4-one
CID 104317727
3-Amino-1-(6-hydroxyhexyl)-1,4-dihydropyridin-4-one
CID 107703764
3-Amino-5-bromo-1-(4-hydroxypentyl)-1,4-dihydropyridin-4-one
CID 165482376

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one (CID 107703765) is 3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one is Nc1cn(CCCCCCO)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one?
The InChIKey is SURVMEQYFQANDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c12-9-7-14(8-10(13)11(9)16)5-3-1-2-4-6-15/h7-8,15H,1-6,13H2.
What are the key properties of 3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one?
3-amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one has a molecular weight of 289.17 g/mol, XLogP of 1.75, 6 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-(6-hydroxyhexyl)pyridin-4-one is sourced from PubChem (CID 107703765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).