2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine

C10H13BrN4O3 — CID 11267083

IUPAC2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1cc(OC)c(/C=N/N=C(\N)NO)cc1Br
InChIInChI=1S/C10H13BrN4O3/c1-17-8-4-9(18-2)7(11)3-6(8)5-13-14-10(12)15-16/h3-5,16H,1-2H3,(H3,12,14,15)/b13-5+
InChIKeyWHYZEUUSKWLZRC-WLRTZDKTSA-N
MW317.14 g/mol
LogP1.09
Rot. Bonds4

About 2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 11267083) has the molecular formula C10H13BrN4O3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID11267083
Molecular FormulaC10H13BrN4O3
Molecular Weight317.14 g/mol
Exact Mass316.02
IUPAC Name2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1cc(OC)c(/C=N/N=C(\N)NO)cc1Br
InChIInChI=1S/C10H13BrN4O3/c1-17-8-4-9(18-2)7(11)3-6(8)5-13-14-10(12)15-16/h3-5,16H,1-2H3,(H3,12,14,15)/b13-5+
InChIKeyWHYZEUUSKWLZRC-WLRTZDKTSA-N
XLogP1.09
TPSA101.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine 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 2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (CID 11267083) is 2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine is COc1cc(OC)c(/C=N/N=C(\N)NO)cc1Br.
What is the InChIKey of 2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is WHYZEUUSKWLZRC-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H13BrN4O3/c1-17-8-4-9(18-2)7(11)3-6(8)5-13-14-10(12)15-16/h3-5,16H,1-2H3,(H3,12,14,15)/b13-5+.
What are the key properties of 2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 317.14 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 11267083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).