2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide

C14H14BrN3O2 — CID 137013848

IUPAC2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(OCc2ccccc2Br)n1
InChIInChI=1S/C14H14BrN3O2/c1-9-6-11(14(16)18-19)7-13(17-9)20-8-10-4-2-3-5-12(10)15/h2-7,19H,8H2,1H3,(H2,16,18)
InChIKeyDOAARQPUHQEKIU-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.83
Rot. Bonds4

About 2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013848) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013848
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(OCc2ccccc2Br)n1
InChIInChI=1S/C14H14BrN3O2/c1-9-6-11(14(16)18-19)7-13(17-9)20-8-10-4-2-3-5-12(10)15/h2-7,19H,8H2,1H3,(H2,16,18)
InChIKeyDOAARQPUHQEKIU-UHFFFAOYSA-N
XLogP2.83
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.83
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

3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656922
N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide
CID 137013796
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 137013810
2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930251
2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013821
N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
CID 137013719
2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013818
N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
CID 137013924
2-[(2-bromophenyl)methoxy]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82824507
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136794793
2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 82824229
4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine
CID 82824209

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013848) is 2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(OCc2ccccc2Br)n1.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is DOAARQPUHQEKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-9-6-11(14(16)18-19)7-13(17-9)20-8-10-4-2-3-5-12(10)15/h2-7,19H,8H2,1H3,(H2,16,18).
What are the key properties of 2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 336.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).