2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide

C13H11Br2N3O2 — CID 137013821

IUPAC2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C13H11Br2N3O2/c1-7-4-8(13(16)18-19)5-12(17-7)20-11-3-2-9(14)6-10(11)15/h2-6,19H,1H3,(H2,16,18)
InChIKeyUZJQSXLCUZLOAK-UHFFFAOYSA-N
MW401.06 g/mol
LogP3.80
Rot. Bonds3

About 2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013821) has the molecular formula C13H11Br2N3O2 and a molecular weight of 401.06 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013821
Molecular FormulaC13H11Br2N3O2
Molecular Weight401.06 g/mol
Exact Mass398.92
IUPAC Name2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C13H11Br2N3O2/c1-7-4-8(13(16)18-19)5-12(17-7)20-11-3-2-9(14)6-10(11)15/h2-6,19H,1H3,(H2,16,18)
InChIKeyUZJQSXLCUZLOAK-UHFFFAOYSA-N
XLogP3.80
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.06
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013736
2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136860120
2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013818
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 137013810
2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013848
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013838
N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 136865767
2-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769377
2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid
CID 107283603
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136794793
4-[(2,4-dibromophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483303
N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
CID 137013719

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013821) is 2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(Oc2ccc(Br)cc2Br)n1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is UZJQSXLCUZLOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O2/c1-7-4-8(13(16)18-19)5-12(17-7)20-11-3-2-9(14)6-10(11)15/h2-6,19H,1H3,(H2,16,18).
What are the key properties of 2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 401.06 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).