N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine

C5H4BrClN2O — CID 88929261

IUPACN-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine
SMILESONc1cc(Br)cnc1Cl
InChIInChI=1S/C5H4BrClN2O/c6-3-1-4(9-10)5(7)8-2-3/h1-2,9-10H
InChIKeyFZJCSXFKWIGLPP-UHFFFAOYSA-N
MW223.46 g/mol
LogP2.30
Rot. Bonds1

About N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine

N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine (PubChem CID 88929261) has the molecular formula C5H4BrClN2O and a molecular weight of 223.46 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine
PubChem CID88929261
Molecular FormulaC5H4BrClN2O
Molecular Weight223.46 g/mol
Exact Mass221.92
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine
SMILESONc1cc(Br)cnc1Cl
InChIInChI=1S/C5H4BrClN2O/c6-3-1-4(9-10)5(7)8-2-3/h1-2,9-10H
InChIKeyFZJCSXFKWIGLPP-UHFFFAOYSA-N
XLogP2.30
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine (CID 88929261) is N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine is ONc1cc(Br)cnc1Cl.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine?
The InChIKey is FZJCSXFKWIGLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2O/c6-3-1-4(9-10)5(7)8-2-3/h1-2,9-10H.
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine?
N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine has a molecular weight of 223.46 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine is sourced from PubChem (CID 88929261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).