N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine

C7H7BrNO3- — CID 89189415

IUPACN-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine
SMILESCOc1ccc(Br)c(N([O-])O)c1
InChIInChI=1S/C7H7BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4,10H,1H3/q-1
InChIKeyHPPHBVKBMOLKKO-UHFFFAOYSA-N
MW233.04 g/mol
LogP2.15
Rot. Bonds2

About N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine

N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine (PubChem CID 89189415) has the molecular formula C7H7BrNO3- and a molecular weight of 233.04 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine
PubChem CID89189415
Molecular FormulaC7H7BrNO3-
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC NameN-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine
SMILESCOc1ccc(Br)c(N([O-])O)c1
InChIInChI=1S/C7H7BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4,10H,1H3/q-1
InChIKeyHPPHBVKBMOLKKO-UHFFFAOYSA-N
XLogP2.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N,N-bis(2-bromo-4-methoxyphenyl)-4-methoxyaniline
CID 13050087
N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine
CID 163172105
1-(2-bromo-5-methoxyphenyl)prop-2-en-1-one
CID 105110975
N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide
CID 102519406
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-bromo-1-(chloromethyl)-4-methoxybenzene
CID 18624207
2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882380
O-(2-bromo-4-methoxyphenyl) chloromethanethioate
CID 57363230
N-(6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)-N-oxidohydroxylamine
CID 21142512
1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane
CID 158293693
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-one
CID 83988112
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine (CID 89189415) is N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine is COc1ccc(Br)c(N([O-])O)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine?
The InChIKey is HPPHBVKBMOLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4,10H,1H3/q-1.
What are the key properties of N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine?
N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine has a molecular weight of 233.04 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-N-oxidohydroxylamine is sourced from PubChem (CID 89189415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).