2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine

C8H8Br2N4O2 — CID 135435056

IUPAC2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESN/C(=N\N=C\c1cc(Br)cc(Br)c1O)NO
InChIInChI=1S/C8H8Br2N4O2/c9-5-1-4(7(15)6(10)2-5)3-12-13-8(11)14-16/h1-3,15-16H,(H3,11,13,14)/b12-3+
InChIKeyRVXULOSKNOTEBK-KGVSQERTSA-N
MW351.99 g/mol
LogP1.54
Rot. Bonds2

About 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 135435056) has the molecular formula C8H8Br2N4O2 and a molecular weight of 351.99 g/mol. Its IUPAC name is 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID135435056
Molecular FormulaC8H8Br2N4O2
Molecular Weight351.99 g/mol
Exact Mass349.90
IUPAC Name2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESN/C(=N\N=C\c1cc(Br)cc(Br)c1O)NO
InChIInChI=1S/C8H8Br2N4O2/c9-5-1-4(7(15)6(10)2-5)3-12-13-8(11)14-16/h1-3,15-16H,(H3,11,13,14)/b12-3+
InChIKeyRVXULOSKNOTEBK-KGVSQERTSA-N
XLogP1.54
TPSA103.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.99
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
CID 135675783
2-[(E)-(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 139982870
2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 91185838
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173023877
2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 139982922
2-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 139982891
2-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1-nitroguanidine
CID 137088956
2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine
CID 72952246
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine (CID 135435056) is 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine is N/C(=N\N=C\c1cc(Br)cc(Br)c1O)NO.
What is the InChIKey of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is RVXULOSKNOTEBK-KGVSQERTSA-N. The full InChI is InChI=1S/C8H8Br2N4O2/c9-5-1-4(7(15)6(10)2-5)3-12-13-8(11)14-16/h1-3,15-16H,(H3,11,13,14)/b12-3+.
What are the key properties of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 351.99 g/mol, XLogP of 1.54, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 135435056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).