4-bromo-2-[(E)-hydrazinylidenemethyl]phenol

C7H7BrN2O — CID 135607960

IUPAC4-bromo-2-[(E)-hydrazinylidenemethyl]phenol
SMILESN/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C7H7BrN2O/c8-6-1-2-7(11)5(3-6)4-10-9/h1-4,11H,9H2/b10-4+
InChIKeyWDAIGIGQOCUMDB-ONNFQVAWSA-N
MW215.05 g/mol
LogP1.45
Rot. Bonds1

About 4-bromo-2-[(E)-hydrazinylidenemethyl]phenol

4-bromo-2-[(E)-hydrazinylidenemethyl]phenol (PubChem CID 135607960) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 4-bromo-2-[(E)-hydrazinylidenemethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-hydrazinylidenemethyl]phenol
PubChem CID135607960
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name4-bromo-2-[(E)-hydrazinylidenemethyl]phenol
SMILESN/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C7H7BrN2O/c8-6-1-2-7(11)5(3-6)4-10-9/h1-4,11H,9H2/b10-4+
InChIKeyWDAIGIGQOCUMDB-ONNFQVAWSA-N
XLogP1.45
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_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 4-bromo-2-[(E)-hydrazinylidenemethyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-hydrazinylidenemethyl]phenol (CID 135607960) is 4-bromo-2-[(E)-hydrazinylidenemethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-hydrazinylidenemethyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-hydrazinylidenemethyl]phenol is N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(E)-hydrazinylidenemethyl]phenol?
The InChIKey is WDAIGIGQOCUMDB-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-6-1-2-7(11)5(3-6)4-10-9/h1-4,11H,9H2/b10-4+.
What are the key properties of 4-bromo-2-[(E)-hydrazinylidenemethyl]phenol?
4-bromo-2-[(E)-hydrazinylidenemethyl]phenol has a molecular weight of 215.05 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-hydrazinylidenemethyl]phenol is sourced from PubChem (CID 135607960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).