2,3-diaminophenol

C6H8N2O — CID 579937

IUPAC2,3-diaminophenol
SMILESNc1cccc(O)c1N
InChIInChI=1S/C6H8N2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,7-8H2
InChIKeyPCAXITAPTVOLGL-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.56
Rot. Bonds

About 2,3-diaminophenol

2,3-diaminophenol (PubChem CID 579937) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2,3-diaminophenol.

Molecular Properties

Compound Name2,3-diaminophenol
PubChem CID579937
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2,3-diaminophenol
SMILESNc1cccc(O)c1N
InChIInChI=1S/C6H8N2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,7-8H2
InChIKeyPCAXITAPTVOLGL-UHFFFAOYSA-N
XLogP0.56
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.56
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-diaminophenol?
The IUPAC name of 2,3-diaminophenol (CID 579937) is 2,3-diaminophenol.
What is the SMILES notation for 2,3-diaminophenol?
The canonical SMILES for 2,3-diaminophenol is Nc1cccc(O)c1N.
What is the InChIKey of 2,3-diaminophenol?
The InChIKey is PCAXITAPTVOLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,7-8H2.
What are the key properties of 2,3-diaminophenol?
2,3-diaminophenol has a molecular weight of 124.14 g/mol, XLogP of 0.56, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminophenol is sourced from PubChem (CID 579937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).