1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea

C8H8BrN3O3 — CID 135538072

IUPAC1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
SMILESO=C(NO)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C8H8BrN3O3/c9-6-1-2-7(13)5(3-6)4-10-11-8(14)12-15/h1-4,13,15H,(H2,11,12,14)/b10-4+
InChIKeyOCZUILNVZWUGNI-ONNFQVAWSA-N
MW274.07 g/mol
LogP1.18
Rot. Bonds2

About 1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea

1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea (PubChem CID 135538072) has the molecular formula C8H8BrN3O3 and a molecular weight of 274.07 g/mol. Its IUPAC name is 1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea.

Molecular Properties

Compound Name1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
PubChem CID135538072
Molecular FormulaC8H8BrN3O3
Molecular Weight274.07 g/mol
Exact Mass272.97
IUPAC Name1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
SMILESO=C(NO)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C8H8BrN3O3/c9-6-1-2-7(13)5(3-6)4-10-11-8(14)12-15/h1-4,13,15H,(H2,11,12,14)/b10-4+
InChIKeyOCZUILNVZWUGNI-ONNFQVAWSA-N
XLogP1.18
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea?
The IUPAC name of 1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea (CID 135538072) is 1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea.
What is the SMILES notation for 1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea?
The canonical SMILES for 1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea is O=C(NO)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea?
The InChIKey is OCZUILNVZWUGNI-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H8BrN3O3/c9-6-1-2-7(13)5(3-6)4-10-11-8(14)12-15/h1-4,13,15H,(H2,11,12,14)/b10-4+.
What are the key properties of 1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea?
1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea has a molecular weight of 274.07 g/mol, XLogP of 1.18, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea is sourced from PubChem (CID 135538072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).