2,3-diaminophenol;zinc

C6H8N2OZn — CID 90019674

IUPAC2,3-diaminophenol;zinc
SMILESNc1cccc(O)c1N.[Zn]
InChIInChI=1S/C6H8N2O.Zn/c7-4-2-1-3-5(9)6(4)8;/h1-3,9H,7-8H2;
InChIKeySRWZZVJUUHNNRT-UHFFFAOYSA-N
MW189.53 g/mol
LogP0.55
Rot. Bonds

About 2,3-diaminophenol;zinc

2,3-diaminophenol;zinc (PubChem CID 90019674) has the molecular formula C6H8N2OZn and a molecular weight of 189.53 g/mol. Its IUPAC name is 2,3-diaminophenol;zinc.

Molecular Properties

Compound Name2,3-diaminophenol;zinc
PubChem CID90019674
Molecular FormulaC6H8N2OZn
Molecular Weight189.53 g/mol
Exact Mass187.99
IUPAC Name2,3-diaminophenol;zinc
SMILESNc1cccc(O)c1N.[Zn]
InChIInChI=1S/C6H8N2O.Zn/c7-4-2-1-3-5(9)6(4)8;/h1-3,9H,7-8H2;
InChIKeySRWZZVJUUHNNRT-UHFFFAOYSA-N
XLogP0.55
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.53
LogP ≤ 50.55
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diaminophenol;zinc?
The IUPAC name of 2,3-diaminophenol;zinc (CID 90019674) is 2,3-diaminophenol;zinc.
What is the SMILES notation for 2,3-diaminophenol;zinc?
The canonical SMILES for 2,3-diaminophenol;zinc is Nc1cccc(O)c1N.[Zn].
What is the InChIKey of 2,3-diaminophenol;zinc?
The InChIKey is SRWZZVJUUHNNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.Zn/c7-4-2-1-3-5(9)6(4)8;/h1-3,9H,7-8H2;.
What are the key properties of 2,3-diaminophenol;zinc?
2,3-diaminophenol;zinc has a molecular weight of 189.53 g/mol, XLogP of 0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminophenol;zinc is sourced from PubChem (CID 90019674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).