(NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine

C6H5BrN2O — CID 136728703

IUPAC(NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine
SMILESO/N=C\c1ccnc(Br)c1
InChIInChI=1S/C6H5BrN2O/c7-6-3-5(4-9-10)1-2-8-6/h1-4,10H/b9-4-
InChIKeyIJYWINMJWWVKAJ-WTKPLQERSA-N
MW201.02 g/mol
LogP1.65
Rot. Bonds1

About (NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine

(NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine (PubChem CID 136728703) has the molecular formula C6H5BrN2O and a molecular weight of 201.02 g/mol. Its IUPAC name is (NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine
PubChem CID136728703
Molecular FormulaC6H5BrN2O
Molecular Weight201.02 g/mol
Exact Mass199.96
IUPAC Name(NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine
SMILESO/N=C\c1ccnc(Br)c1
InChIInChI=1S/C6H5BrN2O/c7-6-3-5(4-9-10)1-2-8-6/h1-4,10H/b9-4-
InChIKeyIJYWINMJWWVKAJ-WTKPLQERSA-N
XLogP1.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 51.65
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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Related Compounds

N-(pyridin-4-ylmethylidene)hydroxylamine
CID 159045467
2-bromo-4-[(E)-2-phenylethenyl]pyridine
CID 86673411
(R)-N-[(2-bromo-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide
CID 158543478
ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
CID 143032049
N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine
CID 86694674
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088
methyl 3-(2-bromo-4-pyridinyl)prop-2-enoate
CID 169479763
4-(2-bromo-4-pyridinyl)but-3-enenitrile
CID 170800715
2,4-dibromopyridine
CID 817104
2,4-dibromopyridine;hydrochloride
CID 87218885
(NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine
CID 137006992
N-(pyrazolo[1,5-a]pyridin-5-ylmethylidene)hydroxylamine
CID 144840717

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine (CID 136728703) is (NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine is O/N=C\c1ccnc(Br)c1.
What is the InChIKey of (NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine?
The InChIKey is IJYWINMJWWVKAJ-WTKPLQERSA-N. The full InChI is InChI=1S/C6H5BrN2O/c7-6-3-5(4-9-10)1-2-8-6/h1-4,10H/b9-4-.
What are the key properties of (NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine?
(NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine has a molecular weight of 201.02 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 136728703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).