2-bromo-N-hydroxypropanamide

C3H6BrNO2 — CID 18416816

IUPAC2-bromo-N-hydroxypropanamide
SMILESCC(Br)C(=O)NO
InChIInChI=1S/C3H6BrNO2/c1-2(4)3(6)5-7/h2,7H,1H3,(H,5,6)
InChIKeyQEGZIUWWRSPQNR-UHFFFAOYSA-N
MW167.99 g/mol
LogP0.28
Rot. Bonds1

About 2-bromo-N-hydroxypropanamide

2-bromo-N-hydroxypropanamide (PubChem CID 18416816) has the molecular formula C3H6BrNO2 and a molecular weight of 167.99 g/mol. Its IUPAC name is 2-bromo-N-hydroxypropanamide.

Molecular Properties

Compound Name2-bromo-N-hydroxypropanamide
PubChem CID18416816
Molecular FormulaC3H6BrNO2
Molecular Weight167.99 g/mol
Exact Mass166.96
IUPAC Name2-bromo-N-hydroxypropanamide
SMILESCC(Br)C(=O)NO
InChIInChI=1S/C3H6BrNO2/c1-2(4)3(6)5-7/h2,7H,1H3,(H,5,6)
InChIKeyQEGZIUWWRSPQNR-UHFFFAOYSA-N
XLogP0.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.99
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-hydroxypropanamide?
The IUPAC name of 2-bromo-N-hydroxypropanamide (CID 18416816) is 2-bromo-N-hydroxypropanamide.
What is the SMILES notation for 2-bromo-N-hydroxypropanamide?
The canonical SMILES for 2-bromo-N-hydroxypropanamide is CC(Br)C(=O)NO.
What is the InChIKey of 2-bromo-N-hydroxypropanamide?
The InChIKey is QEGZIUWWRSPQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrNO2/c1-2(4)3(6)5-7/h2,7H,1H3,(H,5,6).
What are the key properties of 2-bromo-N-hydroxypropanamide?
2-bromo-N-hydroxypropanamide has a molecular weight of 167.99 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-hydroxypropanamide is sourced from PubChem (CID 18416816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).