2-bromo-2-(hydroxyamino)acetaldehyde

C2H4BrNO2 — CID 175342132

IUPAC2-bromo-2-(hydroxyamino)acetaldehyde
SMILESO=CC(Br)NO
InChIInChI=1S/C2H4BrNO2/c3-2(1-5)4-6/h1-2,4,6H
InChIKeyIFKJWWXCULPDEZ-UHFFFAOYSA-N
MW153.96 g/mol
LogP-0.11
Rot. Bonds2

About 2-bromo-2-(hydroxyamino)acetaldehyde

2-bromo-2-(hydroxyamino)acetaldehyde (PubChem CID 175342132) has the molecular formula C2H4BrNO2 and a molecular weight of 153.96 g/mol. Its IUPAC name is 2-bromo-2-(hydroxyamino)acetaldehyde.

Molecular Properties

Compound Name2-bromo-2-(hydroxyamino)acetaldehyde
PubChem CID175342132
Molecular FormulaC2H4BrNO2
Molecular Weight153.96 g/mol
Exact Mass152.94
IUPAC Name2-bromo-2-(hydroxyamino)acetaldehyde
SMILESO=CC(Br)NO
InChIInChI=1S/C2H4BrNO2/c3-2(1-5)4-6/h1-2,4,6H
InChIKeyIFKJWWXCULPDEZ-UHFFFAOYSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.96
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-2-(hydroxyamino)acetaldehyde 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

2-bromo-4-methyl-3-oxopent-4-enal
CID 173102205
3,4-dibromohexane-2,5-dione
CID 87317184
bromoform;propan-2-one
CID 174299446
N-hydroxyformamide;titanium
CID 174147037
(2S)-2-(hydroxyamino)heptanal
CID 143783582
2-bromo-3-chloropropanal
CID 12688066
2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde
CID 118501193
2-(3-oxobutanoyl)propanedial
CID 57284293
3-bromo-4-oxobutanoic acid;hydrobromide
CID 142656018
acetic acid;formic acid;hydrogen peroxide
CID 172718921
2-hydroxy(1,2,3-13C3)propanal
CID 169442815
hydrogen peroxide;2-methylpropanal
CID 174448714

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(hydroxyamino)acetaldehyde?
The IUPAC name of 2-bromo-2-(hydroxyamino)acetaldehyde (CID 175342132) is 2-bromo-2-(hydroxyamino)acetaldehyde.
What is the SMILES notation for 2-bromo-2-(hydroxyamino)acetaldehyde?
The canonical SMILES for 2-bromo-2-(hydroxyamino)acetaldehyde is O=CC(Br)NO.
What is the InChIKey of 2-bromo-2-(hydroxyamino)acetaldehyde?
The InChIKey is IFKJWWXCULPDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BrNO2/c3-2(1-5)4-6/h1-2,4,6H.
What are the key properties of 2-bromo-2-(hydroxyamino)acetaldehyde?
2-bromo-2-(hydroxyamino)acetaldehyde has a molecular weight of 153.96 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(hydroxyamino)acetaldehyde is sourced from PubChem (CID 175342132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).