3-aminoanthracene-2,9,10-triol

C14H11NO3 — CID 90904436

IUPAC3-aminoanthracene-2,9,10-triol
SMILESNc1cc2c(O)c3ccccc3c(O)c2cc1O
InChIInChI=1S/C14H11NO3/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,16-18H,15H2
InChIKeyIUYBLURZMVGAEM-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.69
Rot. Bonds

About 3-aminoanthracene-2,9,10-triol

3-aminoanthracene-2,9,10-triol (PubChem CID 90904436) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-aminoanthracene-2,9,10-triol.

Molecular Properties

Compound Name3-aminoanthracene-2,9,10-triol
PubChem CID90904436
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-aminoanthracene-2,9,10-triol
SMILESNc1cc2c(O)c3ccccc3c(O)c2cc1O
InChIInChI=1S/C14H11NO3/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,16-18H,15H2
InChIKeyIUYBLURZMVGAEM-UHFFFAOYSA-N
XLogP2.69
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.69
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-aminodibenzofuran-3-ol
CID 20610456
anthracene-1,2,10-triol
CID 11342
6-aminobenzo[a]anthracen-5-ol
CID 131861794
3-aminoanthracen-2-ol
CID 22413182
2,5-diaminobenzene-1,4-diol;dihydrobromide
CID 70601230
1,4-diaminonaphthalene-2,3-diol
CID 82254150
3-amino-11H-benzo[a]carbazol-2-ol
CID 135394460
3-amino-4-hydroxynaphthalene-1-carboxylic acid
CID 45089646
7,14-diphenylpentacene-5,12-diol
CID 91191463
2-aminonaphthalene-1,3-diol
CID 118669960
3,6-diamino-9H-carbazole-2,7-diol
CID 68823473
10-azatricyclo[7.1.1.02,7]undeca-1(11),2,4,6,8-pentaen-8-ol
CID 174364509

Frequently Asked Questions

What is the IUPAC name of 3-aminoanthracene-2,9,10-triol?
The IUPAC name of 3-aminoanthracene-2,9,10-triol (CID 90904436) is 3-aminoanthracene-2,9,10-triol.
What is the SMILES notation for 3-aminoanthracene-2,9,10-triol?
The canonical SMILES for 3-aminoanthracene-2,9,10-triol is Nc1cc2c(O)c3ccccc3c(O)c2cc1O.
What is the InChIKey of 3-aminoanthracene-2,9,10-triol?
The InChIKey is IUYBLURZMVGAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,16-18H,15H2.
What are the key properties of 3-aminoanthracene-2,9,10-triol?
3-aminoanthracene-2,9,10-triol has a molecular weight of 241.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoanthracene-2,9,10-triol is sourced from PubChem (CID 90904436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).