6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide

C13H20BrN3O2 — CID 106711855

IUPAC6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCOc1cncc(Br)c1)/C(N)=N/O
InChIInChI=1S/C13H20BrN3O2/c1-13(2,12(15)17-18)5-3-4-6-19-11-7-10(14)8-16-9-11/h7-9,18H,3-6H2,1-2H3,(H2,15,17)
InChIKeyPXUZNHBAFJZVMX-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.17
Rot. Bonds7

About 6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711855) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711855
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCOc1cncc(Br)c1)/C(N)=N/O
InChIInChI=1S/C13H20BrN3O2/c1-13(2,12(15)17-18)5-3-4-6-19-11-7-10(14)8-16-9-11/h7-9,18H,3-6H2,1-2H3,(H2,15,17)
InChIKeyPXUZNHBAFJZVMX-UHFFFAOYSA-N
XLogP3.17
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711855) is 6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCOc1cncc(Br)c1)/C(N)=N/O.
What is the InChIKey of 6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is PXUZNHBAFJZVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-13(2,12(15)17-18)5-3-4-6-19-11-7-10(14)8-16-9-11/h7-9,18H,3-6H2,1-2H3,(H2,15,17).
What are the key properties of 6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 330.23 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).