O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine

C7H7BrClNO — CID 117345694

IUPACO-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine
SMILESNOCc1cc(Cl)ccc1Br
InChIInChI=1S/C7H7BrClNO/c8-7-2-1-6(9)3-5(7)4-11-10/h1-3H,4,10H2
InChIKeyPBSQVFVNDIGEQF-UHFFFAOYSA-N
MW236.50 g/mol
LogP2.49
Rot. Bonds2

About O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine

O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine (PubChem CID 117345694) has the molecular formula C7H7BrClNO and a molecular weight of 236.50 g/mol. Its IUPAC name is O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine
PubChem CID117345694
Molecular FormulaC7H7BrClNO
Molecular Weight236.50 g/mol
Exact Mass234.94
IUPAC NameO-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine
SMILESNOCc1cc(Cl)ccc1Br
InChIInChI=1S/C7H7BrClNO/c8-7-2-1-6(9)3-5(7)4-11-10/h1-3H,4,10H2
InChIKeyPBSQVFVNDIGEQF-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine 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

1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene
CID 134102081
O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine
CID 117307584
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine
CID 117389554
1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene
CID 130598218
2-(2-bromo-5-chlorophenyl)acetaldehyde
CID 66159966
O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine
CID 117196286
O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine
CID 20595414
1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene
CID 160827893
1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789
O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine
CID 58171465
1-(2-bromo-5-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719676

Frequently Asked Questions

What is the IUPAC name of O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine (CID 117345694) is O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine is NOCc1cc(Cl)ccc1Br.
What is the InChIKey of O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine?
The InChIKey is PBSQVFVNDIGEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO/c8-7-2-1-6(9)3-5(7)4-11-10/h1-3H,4,10H2.
What are the key properties of O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine?
O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine has a molecular weight of 236.50 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 117345694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).