1,6-diaminobiphenylene-2,7-diol

C12H10N2O2 — CID 139985001

IUPAC1,6-diaminobiphenylene-2,7-diol
SMILESNc1cc2c(cc1O)=c1c(N)c(O)ccc1=2
InChIInChI=1S/C12H10N2O2/c13-8-3-6-5-1-2-9(15)12(14)11(5)7(6)4-10(8)16/h1-4,15-16H,13-14H2
InChIKeyLLHNZJIHAGTUPC-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.15
Rot. Bonds

About 1,6-diaminobiphenylene-2,7-diol

1,6-diaminobiphenylene-2,7-diol (PubChem CID 139985001) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1,6-diaminobiphenylene-2,7-diol.

Molecular Properties

Compound Name1,6-diaminobiphenylene-2,7-diol
PubChem CID139985001
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name1,6-diaminobiphenylene-2,7-diol
SMILESNc1cc2c(cc1O)=c1c(N)c(O)ccc1=2
InChIInChI=1S/C12H10N2O2/c13-8-3-6-5-1-2-9(15)12(14)11(5)7(6)4-10(8)16/h1-4,15-16H,13-14H2
InChIKeyLLHNZJIHAGTUPC-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'}

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Related Compounds

2,6-Diaminobiphenylene-1,5-diol
CID 139985000
2,5-Diaminobiphenylene-1,6-diol
CID 139985002
4,5-Diaminobiphenylene-1,6-diol
CID 139985003
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
1,7-Diaminobiphenylene-2,6-diol
CID 139985016
1,8-Diaminobiphenylene-2,7-diol
CID 140005184
3,6-Diaminobiphenylene-2,7-diol
CID 140005196

Frequently Asked Questions

What is the IUPAC name of 1,6-diaminobiphenylene-2,7-diol?
The IUPAC name of 1,6-diaminobiphenylene-2,7-diol (CID 139985001) is 1,6-diaminobiphenylene-2,7-diol.
What is the SMILES notation for 1,6-diaminobiphenylene-2,7-diol?
The canonical SMILES for 1,6-diaminobiphenylene-2,7-diol is Nc1cc2c(cc1O)=c1c(N)c(O)ccc1=2.
What is the InChIKey of 1,6-diaminobiphenylene-2,7-diol?
The InChIKey is LLHNZJIHAGTUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c13-8-3-6-5-1-2-9(15)12(14)11(5)7(6)4-10(8)16/h1-4,15-16H,13-14H2.
What are the key properties of 1,6-diaminobiphenylene-2,7-diol?
1,6-diaminobiphenylene-2,7-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 1,6-diaminobiphenylene-2,7-diol is sourced from PubChem (CID 139985001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).