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

C10H13BrN4O3 — CID 139982922

IUPAC2-[(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)
InChIKeyWHYZEUUSKWLZRC-UHFFFAOYSA-N
MW317.14 g/mol
LogP1.09
Rot. Bonds4

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

2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 139982922) has the molecular formula C10H13BrN4O3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID139982922
Molecular FormulaC10H13BrN4O3
Molecular Weight317.14 g/mol
Exact Mass316.02
IUPAC Name2-[(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)
InChIKeyWHYZEUUSKWLZRC-UHFFFAOYSA-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'}

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Related Compounds

1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173058134
2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173023877
2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 142660061
1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 139982862
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 135435056
4-amino-N'-[(Z)-(4-bromo-2,5-dimethoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 40542746
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
2-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 139982891
2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 173023876
2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 91185838
2-[(E)-(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 139982870

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (CID 139982922) is 2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(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-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is WHYZEUUSKWLZRC-UHFFFAOYSA-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).
What are the key properties of 2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
2-[(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-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 139982922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).