2-aminobenzene-4-id-1-ol;yttrium

C6H6NOY- — CID 59925088

IUPAC2-aminobenzene-4-id-1-ol;yttrium
SMILESNc1c[c-]ccc1O.[Y]
InChIInChI=1S/C6H6NO.Y/c7-5-3-1-2-4-6(5)8;/h2-4,8H,7H2;/q-1;
InChIKeyNGUKGMYFRJUSRF-UHFFFAOYSA-N
MW197.03 g/mol
LogP0.77
Rot. Bonds

About 2-aminobenzene-4-id-1-ol;yttrium

2-aminobenzene-4-id-1-ol;yttrium (PubChem CID 59925088) has the molecular formula C6H6NOY- and a molecular weight of 197.03 g/mol. Its IUPAC name is 2-aminobenzene-4-id-1-ol;yttrium.

Molecular Properties

Compound Name2-aminobenzene-4-id-1-ol;yttrium
PubChem CID59925088
Molecular FormulaC6H6NOY-
Molecular Weight197.03 g/mol
Exact Mass196.95
IUPAC Name2-aminobenzene-4-id-1-ol;yttrium
SMILESNc1c[c-]ccc1O.[Y]
InChIInChI=1S/C6H6NO.Y/c7-5-3-1-2-4-6(5)8;/h2-4,8H,7H2;/q-1;
InChIKeyNGUKGMYFRJUSRF-UHFFFAOYSA-N
XLogP0.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.03
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminobenzene-4-id-1-ol;yttrium?
The IUPAC name of 2-aminobenzene-4-id-1-ol;yttrium (CID 59925088) is 2-aminobenzene-4-id-1-ol;yttrium.
What is the SMILES notation for 2-aminobenzene-4-id-1-ol;yttrium?
The canonical SMILES for 2-aminobenzene-4-id-1-ol;yttrium is Nc1c[c-]ccc1O.[Y].
What is the InChIKey of 2-aminobenzene-4-id-1-ol;yttrium?
The InChIKey is NGUKGMYFRJUSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO.Y/c7-5-3-1-2-4-6(5)8;/h2-4,8H,7H2;/q-1;.
What are the key properties of 2-aminobenzene-4-id-1-ol;yttrium?
2-aminobenzene-4-id-1-ol;yttrium has a molecular weight of 197.03 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzene-4-id-1-ol;yttrium is sourced from PubChem (CID 59925088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).