4,5-diaminobiphenylene-1,6-diol

C12H10N2O2 — CID 139985003

IUPAC4,5-diaminobiphenylene-1,6-diol
SMILESNc1c(O)ccc2c1=c1c(N)ccc(O)c1=2
InChIInChI=1S/C12H10N2O2/c13-6-2-4-7(15)9-5-1-3-8(16)12(14)10(5)11(6)9/h1-4,15-16H,13-14H2
InChIKeyNEYJABOYBUKHDL-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.15
Rot. Bonds

About 4,5-diaminobiphenylene-1,6-diol

4,5-diaminobiphenylene-1,6-diol (PubChem CID 139985003) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4,5-diaminobiphenylene-1,6-diol.

Molecular Properties

Compound Name4,5-diaminobiphenylene-1,6-diol
PubChem CID139985003
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4,5-diaminobiphenylene-1,6-diol
SMILESNc1c(O)ccc2c1=c1c(N)ccc(O)c1=2
InChIInChI=1S/C12H10N2O2/c13-6-2-4-7(15)9-5-1-3-8(16)12(14)10(5)11(6)9/h1-4,15-16H,13-14H2
InChIKeyNEYJABOYBUKHDL-UHFFFAOYSA-N
XLogP1.15
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.15
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 4,5-diaminobiphenylene-1,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Aminobiphenylen-1-ol
CID 53916798
4,5-Diamino-6,7-dihydronaphthalen-1-ol
CID 89643350
4,5-Diamino-2,3-dihydronaphthalene-1,8-diol
CID 89643460
2,6-Diaminobiphenylene-1,5-diol
CID 139985000
1,6-Diaminobiphenylene-2,7-diol
CID 139985001
2,5-Diaminobiphenylene-1,6-diol
CID 139985002
2,8-Diaminobiphenylene-1,7-diol
CID 139985007
2,5-Diaminobiphenylene-1,4-diol
CID 139985010
2,7-Diaminobiphenylene-1,6-diol
CID 139985011
2,6-Diaminobiphenylene-1,7-diol
CID 139985013
1,5-Diaminobiphenylene-2,6-diol
CID 139985014
2,7-Diaminobiphenylene-1,8-diol
CID 139985015

Frequently Asked Questions

What is the IUPAC name of 4,5-diaminobiphenylene-1,6-diol?
The IUPAC name of 4,5-diaminobiphenylene-1,6-diol (CID 139985003) is 4,5-diaminobiphenylene-1,6-diol.
What is the SMILES notation for 4,5-diaminobiphenylene-1,6-diol?
The canonical SMILES for 4,5-diaminobiphenylene-1,6-diol is Nc1c(O)ccc2c1=c1c(N)ccc(O)c1=2.
What is the InChIKey of 4,5-diaminobiphenylene-1,6-diol?
The InChIKey is NEYJABOYBUKHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c13-6-2-4-7(15)9-5-1-3-8(16)12(14)10(5)11(6)9/h1-4,15-16H,13-14H2.
What are the key properties of 4,5-diaminobiphenylene-1,6-diol?
4,5-diaminobiphenylene-1,6-diol has a molecular weight of 214.22 g/mol, XLogP of 1.15, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diaminobiphenylene-1,6-diol is sourced from PubChem (CID 139985003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).