3,6-diamino-9H-carbazole-2,7-diol

C12H11N3O2 — CID 68823473

IUPAC3,6-diamino-9H-carbazole-2,7-diol
SMILESNc1cc2c(cc1O)[nH]c1cc(O)c(N)cc12
InChIInChI=1S/C12H11N3O2/c13-7-1-5-6-2-8(14)12(17)4-10(6)15-9(5)3-11(7)16/h1-4,15-17H,13-14H2
InChIKeyUMMIYLSABDQHCW-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.90
Rot. Bonds

About 3,6-diamino-9H-carbazole-2,7-diol

3,6-diamino-9H-carbazole-2,7-diol (PubChem CID 68823473) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3,6-diamino-9H-carbazole-2,7-diol.

Molecular Properties

Compound Name3,6-diamino-9H-carbazole-2,7-diol
PubChem CID68823473
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3,6-diamino-9H-carbazole-2,7-diol
SMILESNc1cc2c(cc1O)[nH]c1cc(O)c(N)cc12
InChIInChI=1S/C12H11N3O2/c13-7-1-5-6-2-8(14)12(17)4-10(6)15-9(5)3-11(7)16/h1-4,15-17H,13-14H2
InChIKeyUMMIYLSABDQHCW-UHFFFAOYSA-N
XLogP1.90
TPSA108.29 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.90
H-Bond Donors ≤ 55
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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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-9H-carbazole-2,7-diol?
The IUPAC name of 3,6-diamino-9H-carbazole-2,7-diol (CID 68823473) is 3,6-diamino-9H-carbazole-2,7-diol.
What is the SMILES notation for 3,6-diamino-9H-carbazole-2,7-diol?
The canonical SMILES for 3,6-diamino-9H-carbazole-2,7-diol is Nc1cc2c(cc1O)[nH]c1cc(O)c(N)cc12.
What is the InChIKey of 3,6-diamino-9H-carbazole-2,7-diol?
The InChIKey is UMMIYLSABDQHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-7-1-5-6-2-8(14)12(17)4-10(6)15-9(5)3-11(7)16/h1-4,15-17H,13-14H2.
What are the key properties of 3,6-diamino-9H-carbazole-2,7-diol?
3,6-diamino-9H-carbazole-2,7-diol has a molecular weight of 229.24 g/mol, XLogP of 1.90, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-9H-carbazole-2,7-diol is sourced from PubChem (CID 68823473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).