4-bromo-1-hydroxy-N-phenylpyridin-2-imine

C11H9BrN2O — CID 67995848

IUPAC4-bromo-1-hydroxy-N-phenylpyridin-2-imine
SMILESOn1ccc(Br)c/c1=N\c1ccccc1
InChIInChI=1S/C11H9BrN2O/c12-9-6-7-14(15)11(8-9)13-10-4-2-1-3-5-10/h1-8,15H/b13-11+
InChIKeyPHGWQIHMUHVOSN-ACCUITESSA-N
MW265.11 g/mol
LogP2.72
Rot. Bonds1

About 4-bromo-1-hydroxy-N-phenylpyridin-2-imine

4-bromo-1-hydroxy-N-phenylpyridin-2-imine (PubChem CID 67995848) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 4-bromo-1-hydroxy-N-phenylpyridin-2-imine.

Molecular Properties

Compound Name4-bromo-1-hydroxy-N-phenylpyridin-2-imine
PubChem CID67995848
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name4-bromo-1-hydroxy-N-phenylpyridin-2-imine
SMILESOn1ccc(Br)c/c1=N\c1ccccc1
InChIInChI=1S/C11H9BrN2O/c12-9-6-7-14(15)11(8-9)13-10-4-2-1-3-5-10/h1-8,15H/b13-11+
InChIKeyPHGWQIHMUHVOSN-ACCUITESSA-N
XLogP2.72
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-hydroxy-N-phenylpyridin-2-imine?
The IUPAC name of 4-bromo-1-hydroxy-N-phenylpyridin-2-imine (CID 67995848) is 4-bromo-1-hydroxy-N-phenylpyridin-2-imine.
What is the SMILES notation for 4-bromo-1-hydroxy-N-phenylpyridin-2-imine?
The canonical SMILES for 4-bromo-1-hydroxy-N-phenylpyridin-2-imine is On1ccc(Br)c/c1=N\c1ccccc1.
What is the InChIKey of 4-bromo-1-hydroxy-N-phenylpyridin-2-imine?
The InChIKey is PHGWQIHMUHVOSN-ACCUITESSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-9-6-7-14(15)11(8-9)13-10-4-2-1-3-5-10/h1-8,15H/b13-11+.
What are the key properties of 4-bromo-1-hydroxy-N-phenylpyridin-2-imine?
4-bromo-1-hydroxy-N-phenylpyridin-2-imine has a molecular weight of 265.11 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-hydroxy-N-phenylpyridin-2-imine is sourced from PubChem (CID 67995848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).