N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine

C9H9Br2NO2 — CID 75574757

IUPACN-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1c(Br)cc(Br)cc1C=NO
InChIInChI=1S/C9H9Br2NO2/c1-2-14-9-6(5-12-13)3-7(10)4-8(9)11/h3-5,13H,2H2,1H3
InChIKeyAGMOSTFZMJYTMG-UHFFFAOYSA-N
MW322.98 g/mol
LogP3.42
Rot. Bonds3

About N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine

N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine (PubChem CID 75574757) has the molecular formula C9H9Br2NO2 and a molecular weight of 322.98 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine
PubChem CID75574757
Molecular FormulaC9H9Br2NO2
Molecular Weight322.98 g/mol
Exact Mass320.90
IUPAC NameN-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1c(Br)cc(Br)cc1C=NO
InChIInChI=1S/C9H9Br2NO2/c1-2-14-9-6(5-12-13)3-7(10)4-8(9)11/h3-5,13H,2H2,1H3
InChIKeyAGMOSTFZMJYTMG-UHFFFAOYSA-N
XLogP3.42
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.98
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene
CID 130532004
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-enal
CID 79331302
N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
CID 581457
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334570
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329832
4-[[2,4-dibromo-6-[(Z)-hydroxyiminomethyl]phenoxy]methyl]benzoic acid
CID 126082413
4-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide
CID 3493462
3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340569
N-[(E)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126324715
N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine
CID 57368892
5-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598848
3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide
CID 4579243

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine (CID 75574757) is N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine is CCOc1c(Br)cc(Br)cc1C=NO.
What is the InChIKey of N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is AGMOSTFZMJYTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO2/c1-2-14-9-6(5-12-13)3-7(10)4-8(9)11/h3-5,13H,2H2,1H3.
What are the key properties of N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine?
N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 322.98 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 75574757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).