N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine

C7H7BrN2O — CID 173022617

IUPACN-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine
SMILESON=CCc1cccc(Br)n1
InChIInChI=1S/C7H7BrN2O/c8-7-3-1-2-6(10-7)4-5-9-11/h1-3,5,11H,4H2
InChIKeyINMPGLZHVYWPFP-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.85
Rot. Bonds2

About N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine

N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine (PubChem CID 173022617) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine
PubChem CID173022617
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC NameN-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine
SMILESON=CCc1cccc(Br)n1
InChIInChI=1S/C7H7BrN2O/c8-7-3-1-2-6(10-7)4-5-9-11/h1-3,5,11H,4H2
InChIKeyINMPGLZHVYWPFP-UHFFFAOYSA-N
XLogP1.85
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine (CID 173022617) is N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine is ON=CCc1cccc(Br)n1.
What is the InChIKey of N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine?
The InChIKey is INMPGLZHVYWPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-7-3-1-2-6(10-7)4-5-9-11/h1-3,5,11H,4H2.
What are the key properties of N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine?
N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine has a molecular weight of 215.05 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine is sourced from PubChem (CID 173022617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).