(5-bromo-2-formylphenyl)-hydroxyazanium

C7H7BrNO2+ — CID 169112792

IUPAC(5-bromo-2-formylphenyl)-hydroxyazanium
SMILESO=Cc1ccc(Br)cc1[NH2+]O
InChIInChI=1S/C7H6BrNO2/c8-6-2-1-5(4-10)7(3-6)9-11/h1-4,9,11H/p+1
InChIKeyXWESGIOZGLGJHS-UHFFFAOYSA-O
MW217.04 g/mol
LogP0.85
Rot. Bonds2

About (5-bromo-2-formylphenyl)-hydroxyazanium

(5-bromo-2-formylphenyl)-hydroxyazanium (PubChem CID 169112792) has the molecular formula C7H7BrNO2+ and a molecular weight of 217.04 g/mol. Its IUPAC name is (5-bromo-2-formylphenyl)-hydroxyazanium.

Molecular Properties

Compound Name(5-bromo-2-formylphenyl)-hydroxyazanium
PubChem CID169112792
Molecular FormulaC7H7BrNO2+
Molecular Weight217.04 g/mol
Exact Mass215.97
IUPAC Name(5-bromo-2-formylphenyl)-hydroxyazanium
SMILESO=Cc1ccc(Br)cc1[NH2+]O
InChIInChI=1S/C7H6BrNO2/c8-6-2-1-5(4-10)7(3-6)9-11/h1-4,9,11H/p+1
InChIKeyXWESGIOZGLGJHS-UHFFFAOYSA-O
XLogP0.85
TPSA53.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-bromo-2-formylphenyl)-hydroxyazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(4-bromo-2-formylphenyl)benzaldehyde
CID 11326094
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
1,6-dibromonaphthalene-2-carbaldehyde
CID 88724899
4-bromo-2-(1-oxopropan-2-yl)benzaldehyde
CID 134640143
4-bromo-2-(fluoromethoxy)benzaldehyde
CID 87676781
4-bromo-2-(methylaminomethyl)benzaldehyde
CID 178141211
4-bromo-2-(oxetan-3-ylsulfanyl)benzaldehyde
CID 79332617
4-bromo-2-[cyclobutyl(2-hydroxyethyl)amino]benzaldehyde
CID 102863660
[4-bromo-2-(methylamino)phenyl]-hydroxyazanium
CID 170716961
4-bromo-2-(2-phenylphenyl)benzaldehyde
CID 175223605
4-bromo-2-(3-chloropropyl)benzaldehyde
CID 118834577
2-aminoethanesulfonic acid;5-bromo-2-hydroxybenzaldehyde
CID 174561348

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-formylphenyl)-hydroxyazanium?
The IUPAC name of (5-bromo-2-formylphenyl)-hydroxyazanium (CID 169112792) is (5-bromo-2-formylphenyl)-hydroxyazanium.
What is the SMILES notation for (5-bromo-2-formylphenyl)-hydroxyazanium?
The canonical SMILES for (5-bromo-2-formylphenyl)-hydroxyazanium is O=Cc1ccc(Br)cc1[NH2+]O.
What is the InChIKey of (5-bromo-2-formylphenyl)-hydroxyazanium?
The InChIKey is XWESGIOZGLGJHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6BrNO2/c8-6-2-1-5(4-10)7(3-6)9-11/h1-4,9,11H/p+1.
What are the key properties of (5-bromo-2-formylphenyl)-hydroxyazanium?
(5-bromo-2-formylphenyl)-hydroxyazanium has a molecular weight of 217.04 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-formylphenyl)-hydroxyazanium is sourced from PubChem (CID 169112792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).