2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide

C9H11BrN2O2 — CID 65323662

IUPAC2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide
SMILESCOc1ccc(Br)c(C/C(N)=N/O)c1
InChIInChI=1S/C9H11BrN2O2/c1-14-7-2-3-8(10)6(4-7)5-9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKeyDYBUIQQMXTZVFK-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.75
Rot. Bonds3

About 2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide

2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide (PubChem CID 65323662) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide
PubChem CID65323662
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide
SMILESCOc1ccc(Br)c(C/C(N)=N/O)c1
InChIInChI=1S/C9H11BrN2O2/c1-14-7-2-3-8(10)6(4-7)5-9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKeyDYBUIQQMXTZVFK-UHFFFAOYSA-N
XLogP1.75
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-[(2-bromo-5-methoxyphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77065238
2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide
CID 77069981
3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide
CID 77069982
O-methyl 2-(2-bromo-5-methoxyphenyl)ethanethioate
CID 146285646
3-(2-bromo-4-methoxyphenoxy)-N'-hydroxypropanimidamide
CID 104707785
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
(2-bromo-5-methoxyphenyl)methyl-trifluoroboranuide
CID 65326541
1-[(2-bromo-5-methoxyphenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77065239

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide (CID 65323662) is 2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide is COc1ccc(Br)c(C/C(N)=N/O)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide?
The InChIKey is DYBUIQQMXTZVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-14-7-2-3-8(10)6(4-7)5-9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12).
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide?
2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide has a molecular weight of 259.10 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 65323662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).