(NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine

C12H9BrN2O — CID 119086174

IUPAC(NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine
SMILESO/N=C(/c1ccccc1)c1ccc(Br)nc1
InChIInChI=1S/C12H9BrN2O/c13-11-7-6-10(8-14-11)12(15-16)9-4-2-1-3-5-9/h1-8,16H/b15-12-
InChIKeyGNDMBTFQURNKFP-QINSGFPZSA-N
MW277.12 g/mol
LogP3.07
Rot. Bonds2

About (NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine

(NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine (PubChem CID 119086174) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is (NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine
PubChem CID119086174
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name(NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine
SMILESO/N=C(/c1ccccc1)c1ccc(Br)nc1
InChIInChI=1S/C12H9BrN2O/c13-11-7-6-10(8-14-11)12(15-16)9-4-2-1-3-5-9/h1-8,16H/b15-12-
InChIKeyGNDMBTFQURNKFP-QINSGFPZSA-N
XLogP3.07
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.07
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 (NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine (CID 119086174) is (NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine is O/N=C(/c1ccccc1)c1ccc(Br)nc1.
What is the InChIKey of (NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine?
The InChIKey is GNDMBTFQURNKFP-QINSGFPZSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-11-7-6-10(8-14-11)12(15-16)9-4-2-1-3-5-9/h1-8,16H/b15-12-.
What are the key properties of (NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine?
(NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine has a molecular weight of 277.12 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 119086174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).