3,4-diaminonaphthalene-1,2-diol

C10H10N2O2 — CID 82254146

IUPAC3,4-diaminonaphthalene-1,2-diol
SMILESNc1c(O)c(O)c2ccccc2c1N
InChIInChI=1S/C10H10N2O2/c11-7-5-3-1-2-4-6(5)9(13)10(14)8(7)12/h1-4,13-14H,11-12H2
InChIKeyJBYDXPNHIIFEDK-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.42
Rot. Bonds

About 3,4-diaminonaphthalene-1,2-diol

3,4-diaminonaphthalene-1,2-diol (PubChem CID 82254146) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3,4-diaminonaphthalene-1,2-diol.

Molecular Properties

Compound Name3,4-diaminonaphthalene-1,2-diol
PubChem CID82254146
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3,4-diaminonaphthalene-1,2-diol
SMILESNc1c(O)c(O)c2ccccc2c1N
InChIInChI=1S/C10H10N2O2/c11-7-5-3-1-2-4-6(5)9(13)10(14)8(7)12/h1-4,13-14H,11-12H2
InChIKeyJBYDXPNHIIFEDK-UHFFFAOYSA-N
XLogP1.42
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diaminonaphthalene-1,2-diol?
The IUPAC name of 3,4-diaminonaphthalene-1,2-diol (CID 82254146) is 3,4-diaminonaphthalene-1,2-diol.
What is the SMILES notation for 3,4-diaminonaphthalene-1,2-diol?
The canonical SMILES for 3,4-diaminonaphthalene-1,2-diol is Nc1c(O)c(O)c2ccccc2c1N.
What is the InChIKey of 3,4-diaminonaphthalene-1,2-diol?
The InChIKey is JBYDXPNHIIFEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-7-5-3-1-2-4-6(5)9(13)10(14)8(7)12/h1-4,13-14H,11-12H2.
What are the key properties of 3,4-diaminonaphthalene-1,2-diol?
3,4-diaminonaphthalene-1,2-diol has a molecular weight of 190.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminonaphthalene-1,2-diol is sourced from PubChem (CID 82254146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).