2,3-diaminonaphthalen-1-ol

C10H10N2O — CID 18760386

IUPAC2,3-diaminonaphthalen-1-ol
SMILESNc1cc2ccccc2c(O)c1N
InChIInChI=1S/C10H10N2O/c11-8-5-6-3-1-2-4-7(6)10(13)9(8)12/h1-5,13H,11-12H2
InChIKeyVCPMTKKWBCDKNB-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.71
Rot. Bonds

About 2,3-diaminonaphthalen-1-ol

2,3-diaminonaphthalen-1-ol (PubChem CID 18760386) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,3-diaminonaphthalen-1-ol.

Molecular Properties

Compound Name2,3-diaminonaphthalen-1-ol
PubChem CID18760386
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2,3-diaminonaphthalen-1-ol
SMILESNc1cc2ccccc2c(O)c1N
InChIInChI=1S/C10H10N2O/c11-8-5-6-3-1-2-4-7(6)10(13)9(8)12/h1-5,13H,11-12H2
InChIKeyVCPMTKKWBCDKNB-UHFFFAOYSA-N
XLogP1.71
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2,3-diaminonaphthalen-1-ol?
The IUPAC name of 2,3-diaminonaphthalen-1-ol (CID 18760386) is 2,3-diaminonaphthalen-1-ol.
What is the SMILES notation for 2,3-diaminonaphthalen-1-ol?
The canonical SMILES for 2,3-diaminonaphthalen-1-ol is Nc1cc2ccccc2c(O)c1N.
What is the InChIKey of 2,3-diaminonaphthalen-1-ol?
The InChIKey is VCPMTKKWBCDKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-8-5-6-3-1-2-4-7(6)10(13)9(8)12/h1-5,13H,11-12H2.
What are the key properties of 2,3-diaminonaphthalen-1-ol?
2,3-diaminonaphthalen-1-ol has a molecular weight of 174.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminonaphthalen-1-ol is sourced from PubChem (CID 18760386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).