2-(2,4-dibromophenyl)-1-hydroxyguanidine

C7H7Br2N3O — CID 62481697

IUPAC2-(2,4-dibromophenyl)-1-hydroxyguanidine
SMILESN/C(=N\c1ccc(Br)cc1Br)NO
InChIInChI=1S/C7H7Br2N3O/c8-4-1-2-6(5(9)3-4)11-7(10)12-13/h1-3,13H,(H3,10,11,12)
InChIKeyDBTXLKGPGGNLIT-UHFFFAOYSA-N
MW308.96 g/mol
LogP2.14
Rot. Bonds1

About 2-(2,4-dibromophenyl)-1-hydroxyguanidine

2-(2,4-dibromophenyl)-1-hydroxyguanidine (PubChem CID 62481697) has the molecular formula C7H7Br2N3O and a molecular weight of 308.96 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)-1-hydroxyguanidine
PubChem CID62481697
Molecular FormulaC7H7Br2N3O
Molecular Weight308.96 g/mol
Exact Mass306.90
IUPAC Name2-(2,4-dibromophenyl)-1-hydroxyguanidine
SMILESN/C(=N\c1ccc(Br)cc1Br)NO
InChIInChI=1S/C7H7Br2N3O/c8-4-1-2-6(5(9)3-4)11-7(10)12-13/h1-3,13H,(H3,10,11,12)
InChIKeyDBTXLKGPGGNLIT-UHFFFAOYSA-N
XLogP2.14
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.96
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenyl)-1-hydroxyguanidine?
The IUPAC name of 2-(2,4-dibromophenyl)-1-hydroxyguanidine (CID 62481697) is 2-(2,4-dibromophenyl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(2,4-dibromophenyl)-1-hydroxyguanidine?
The canonical SMILES for 2-(2,4-dibromophenyl)-1-hydroxyguanidine is N/C(=N\c1ccc(Br)cc1Br)NO.
What is the InChIKey of 2-(2,4-dibromophenyl)-1-hydroxyguanidine?
The InChIKey is DBTXLKGPGGNLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N3O/c8-4-1-2-6(5(9)3-4)11-7(10)12-13/h1-3,13H,(H3,10,11,12).
What are the key properties of 2-(2,4-dibromophenyl)-1-hydroxyguanidine?
2-(2,4-dibromophenyl)-1-hydroxyguanidine has a molecular weight of 308.96 g/mol, XLogP of 2.14, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)-1-hydroxyguanidine is sourced from PubChem (CID 62481697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).