5,6-diaminonaphthalene-2-carboxylic acid

C11H10N2O2 — CID 23293419

IUPAC5,6-diaminonaphthalene-2-carboxylic acid
SMILESNc1ccc2cc(C(=O)O)ccc2c1N
InChIInChI=1S/C11H10N2O2/c12-9-4-2-6-5-7(11(14)15)1-3-8(6)10(9)13/h1-5H,12-13H2,(H,14,15)
InChIKeyHEPULXJBITTXTI-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.70
Rot. Bonds1

About 5,6-diaminonaphthalene-2-carboxylic acid

5,6-diaminonaphthalene-2-carboxylic acid (PubChem CID 23293419) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5,6-diaminonaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5,6-diaminonaphthalene-2-carboxylic acid
PubChem CID23293419
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5,6-diaminonaphthalene-2-carboxylic acid
SMILESNc1ccc2cc(C(=O)O)ccc2c1N
InChIInChI=1S/C11H10N2O2/c12-9-4-2-6-5-7(11(14)15)1-3-8(6)10(9)13/h1-5H,12-13H2,(H,14,15)
InChIKeyHEPULXJBITTXTI-UHFFFAOYSA-N
XLogP1.70
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5,6-diaminonaphthalene-2-carboxylic acid 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

6-amino-5-sulfonaphthalene-2-carboxylic acid
CID 15095377
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
CID 67200510
CID 67200510
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
8-aminonaphthalene-2-carboxylic acid
CID 13440887
2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride
CID 68837450
naphthalene-2-carboxylic acid
CID 175967775
2-amino-1-oxoisoquinoline-6-carboxylic acid
CID 118527683

Frequently Asked Questions

What is the IUPAC name of 5,6-diaminonaphthalene-2-carboxylic acid?
The IUPAC name of 5,6-diaminonaphthalene-2-carboxylic acid (CID 23293419) is 5,6-diaminonaphthalene-2-carboxylic acid.
What is the SMILES notation for 5,6-diaminonaphthalene-2-carboxylic acid?
The canonical SMILES for 5,6-diaminonaphthalene-2-carboxylic acid is Nc1ccc2cc(C(=O)O)ccc2c1N.
What is the InChIKey of 5,6-diaminonaphthalene-2-carboxylic acid?
The InChIKey is HEPULXJBITTXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-9-4-2-6-5-7(11(14)15)1-3-8(6)10(9)13/h1-5H,12-13H2,(H,14,15).
What are the key properties of 5,6-diaminonaphthalene-2-carboxylic acid?
5,6-diaminonaphthalene-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diaminonaphthalene-2-carboxylic acid is sourced from PubChem (CID 23293419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).