(NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine

C7H7BrN2O — CID 170326497

IUPAC(NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(Br)nc(/C=N/O)c1
InChIInChI=1S/C7H7BrN2O/c1-5-2-6(4-9-11)10-7(8)3-5/h2-4,11H,1H3/b9-4+
InChIKeyQXNUXIKDSZLQNG-RUDMXATFSA-N
MW215.05 g/mol
LogP1.96
Rot. Bonds1

About (NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine

(NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 170326497) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is (NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine
PubChem CID170326497
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name(NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(Br)nc(/C=N/O)c1
InChIInChI=1S/C7H7BrN2O/c1-5-2-6(4-9-11)10-7(8)3-5/h2-4,11H,1H3/b9-4+
InChIKeyQXNUXIKDSZLQNG-RUDMXATFSA-N
XLogP1.96
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.96
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 (NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine (CID 170326497) is (NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine is Cc1cc(Br)nc(/C=N/O)c1.
What is the InChIKey of (NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is QXNUXIKDSZLQNG-RUDMXATFSA-N. The full InChI is InChI=1S/C7H7BrN2O/c1-5-2-6(4-9-11)10-7(8)3-5/h2-4,11H,1H3/b9-4+.
What are the key properties of (NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine?
(NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine has a molecular weight of 215.05 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 170326497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).