2,5-diaminobenzene-1,4-diol;dihydrobromide

C6H10Br2N2O2 — CID 70601230

IUPAC2,5-diaminobenzene-1,4-diol;dihydrobromide
SMILESBr.Br.Nc1cc(O)c(N)cc1O
InChIInChI=1S/C6H8N2O2.2BrH/c7-3-1-5(9)4(8)2-6(3)10;;/h1-2,9-10H,7-8H2;2*1H
InChIKeyMNYQREIDWXXTBD-UHFFFAOYSA-N
MW301.97 g/mol
LogP1.42
Rot. Bonds

About 2,5-diaminobenzene-1,4-diol;dihydrobromide

2,5-diaminobenzene-1,4-diol;dihydrobromide (PubChem CID 70601230) has the molecular formula C6H10Br2N2O2 and a molecular weight of 301.97 g/mol. Its IUPAC name is 2,5-diaminobenzene-1,4-diol;dihydrobromide.

Molecular Properties

Compound Name2,5-diaminobenzene-1,4-diol;dihydrobromide
PubChem CID70601230
Molecular FormulaC6H10Br2N2O2
Molecular Weight301.97 g/mol
Exact Mass299.91
IUPAC Name2,5-diaminobenzene-1,4-diol;dihydrobromide
SMILESBr.Br.Nc1cc(O)c(N)cc1O
InChIInChI=1S/C6H8N2O2.2BrH/c7-3-1-5(9)4(8)2-6(3)10;;/h1-2,9-10H,7-8H2;2*1H
InChIKeyMNYQREIDWXXTBD-UHFFFAOYSA-N
XLogP1.42
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.97
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2,5-diaminobenzene-1,4-diol;dihydrobromide 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 2,5-diaminobenzene-1,4-diol;dihydrobromide?
The IUPAC name of 2,5-diaminobenzene-1,4-diol;dihydrobromide (CID 70601230) is 2,5-diaminobenzene-1,4-diol;dihydrobromide.
What is the SMILES notation for 2,5-diaminobenzene-1,4-diol;dihydrobromide?
The canonical SMILES for 2,5-diaminobenzene-1,4-diol;dihydrobromide is Br.Br.Nc1cc(O)c(N)cc1O.
What is the InChIKey of 2,5-diaminobenzene-1,4-diol;dihydrobromide?
The InChIKey is MNYQREIDWXXTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.2BrH/c7-3-1-5(9)4(8)2-6(3)10;;/h1-2,9-10H,7-8H2;2*1H.
What are the key properties of 2,5-diaminobenzene-1,4-diol;dihydrobromide?
2,5-diaminobenzene-1,4-diol;dihydrobromide has a molecular weight of 301.97 g/mol, XLogP of 1.42, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diaminobenzene-1,4-diol;dihydrobromide is sourced from PubChem (CID 70601230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).