2,5-diaminobenzene-1,3-diol;dihydrochloride

C6H10Cl2N2O2 — CID 19920045

IUPAC2,5-diaminobenzene-1,3-diol;dihydrochloride
SMILESCl.Cl.Nc1cc(O)c(N)c(O)c1
InChIInChI=1S/C6H8N2O2.2ClH/c7-3-1-4(9)6(8)5(10)2-3;;/h1-2,9-10H,7-8H2;2*1H
InChIKeyAXMVNCSMMPTLOJ-UHFFFAOYSA-N
MW213.06 g/mol
LogP1.11
Rot. Bonds

About 2,5-diaminobenzene-1,3-diol;dihydrochloride

2,5-diaminobenzene-1,3-diol;dihydrochloride (PubChem CID 19920045) has the molecular formula C6H10Cl2N2O2 and a molecular weight of 213.06 g/mol. Its IUPAC name is 2,5-diaminobenzene-1,3-diol;dihydrochloride.

Molecular Properties

Compound Name2,5-diaminobenzene-1,3-diol;dihydrochloride
PubChem CID19920045
Molecular FormulaC6H10Cl2N2O2
Molecular Weight213.06 g/mol
Exact Mass212.01
IUPAC Name2,5-diaminobenzene-1,3-diol;dihydrochloride
SMILESCl.Cl.Nc1cc(O)c(N)c(O)c1
InChIInChI=1S/C6H8N2O2.2ClH/c7-3-1-4(9)6(8)5(10)2-3;;/h1-2,9-10H,7-8H2;2*1H
InChIKeyAXMVNCSMMPTLOJ-UHFFFAOYSA-N
XLogP1.11
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 51.11
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'}

Analyze 2,5-diaminobenzene-1,3-diol;dihydrochloride 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-1,3-diol;dihydrochloride?
The IUPAC name of 2,5-diaminobenzene-1,3-diol;dihydrochloride (CID 19920045) is 2,5-diaminobenzene-1,3-diol;dihydrochloride.
What is the SMILES notation for 2,5-diaminobenzene-1,3-diol;dihydrochloride?
The canonical SMILES for 2,5-diaminobenzene-1,3-diol;dihydrochloride is Cl.Cl.Nc1cc(O)c(N)c(O)c1.
What is the InChIKey of 2,5-diaminobenzene-1,3-diol;dihydrochloride?
The InChIKey is AXMVNCSMMPTLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.2ClH/c7-3-1-4(9)6(8)5(10)2-3;;/h1-2,9-10H,7-8H2;2*1H.
What are the key properties of 2,5-diaminobenzene-1,3-diol;dihydrochloride?
2,5-diaminobenzene-1,3-diol;dihydrochloride has a molecular weight of 213.06 g/mol, XLogP of 1.11, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diaminobenzene-1,3-diol;dihydrochloride is sourced from PubChem (CID 19920045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).