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

C9H10BrN3O4 — CID 135544572

IUPAC1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea
SMILESCOc1cc(Br)cc(/C=N/NC(=O)NO)c1O
InChIInChI=1S/C9H10BrN3O4/c1-17-7-3-6(10)2-5(8(7)14)4-11-12-9(15)13-16/h2-4,14,16H,1H3,(H2,12,13,15)/b11-4+
InChIKeyKDWIRAWBRUDGEA-NYYWCZLTSA-N
MW304.10 g/mol
LogP1.19
Rot. Bonds3

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

1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea (PubChem CID 135544572) has the molecular formula C9H10BrN3O4 and a molecular weight of 304.10 g/mol. Its IUPAC name is 1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea.

Molecular Properties

Compound Name1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea
PubChem CID135544572
Molecular FormulaC9H10BrN3O4
Molecular Weight304.10 g/mol
Exact Mass302.99
IUPAC Name1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea
SMILESCOc1cc(Br)cc(/C=N/NC(=O)NO)c1O
InChIInChI=1S/C9H10BrN3O4/c1-17-7-3-6(10)2-5(8(7)14)4-11-12-9(15)13-16/h2-4,14,16H,1H3,(H2,12,13,15)/b11-4+
InChIKeyKDWIRAWBRUDGEA-NYYWCZLTSA-N
XLogP1.19
TPSA103.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-hydroxy-3-methoxyphenyl)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

Related Compounds

4-Bromo-2-[[(2-hydroxyethyl)imino]methyl]-6-methoxyphenol
CID 136076120
Benzylidenehydrazine derivative, 23
CID 135883090
N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 1349845
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135433204
1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-tert-butylthiourea
CID 135445514
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-cyanoacetohydrazide
CID 135460493
4-bromo-2-methoxy-6-[(E)-5H-tetrazol-5-yliminomethyl]phenol
CID 136076105
2-Hydroxy-3-methoxybenzaldehyde semicarbazone
CID 135439993
2-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 135476468
[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 135804345
N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135815951
[(E)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 135851175

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea?
The IUPAC name of 1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea (CID 135544572) is 1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea.
What is the SMILES notation for 1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea?
The canonical SMILES for 1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea is COc1cc(Br)cc(/C=N/NC(=O)NO)c1O.
What is the InChIKey of 1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea?
The InChIKey is KDWIRAWBRUDGEA-NYYWCZLTSA-N. The full InChI is InChI=1S/C9H10BrN3O4/c1-17-7-3-6(10)2-5(8(7)14)4-11-12-9(15)13-16/h2-4,14,16H,1H3,(H2,12,13,15)/b11-4+.
What are the key properties of 1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea?
1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea has a molecular weight of 304.10 g/mol, XLogP of 1.19, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-hydroxyurea is sourced from PubChem (CID 135544572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).