5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol

C16H10F3N3O — CID 4057115

IUPAC5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol
SMILESOc1ccc(/N=N/c2ccccc2C(F)(F)F)c2cccnc12
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)11-5-1-2-6-13(11)22-21-12-7-8-14(23)15-10(12)4-3-9-20-15/h1-9,23H/b22-21+
InChIKeyGCNPQACYJBNCKQ-QURGRASLSA-N
MW317.27 g/mol
LogP5.37
Rot. Bonds2

About 5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol

5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol (PubChem CID 4057115) has the molecular formula C16H10F3N3O and a molecular weight of 317.27 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol
PubChem CID4057115
Molecular FormulaC16H10F3N3O
Molecular Weight317.27 g/mol
Exact Mass317.08
IUPAC Name5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol
SMILESOc1ccc(/N=N/c2ccccc2C(F)(F)F)c2cccnc12
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)11-5-1-2-6-13(11)22-21-12-7-8-14(23)15-10(12)4-3-9-20-15/h1-9,23H/b22-21+
InChIKeyGCNPQACYJBNCKQ-QURGRASLSA-N
XLogP5.37
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.27
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol?
The IUPAC name of 5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol (CID 4057115) is 5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol.
What is the SMILES notation for 5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol?
The canonical SMILES for 5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol is Oc1ccc(/N=N/c2ccccc2C(F)(F)F)c2cccnc12.
What is the InChIKey of 5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol?
The InChIKey is GCNPQACYJBNCKQ-QURGRASLSA-N. The full InChI is InChI=1S/C16H10F3N3O/c17-16(18,19)11-5-1-2-6-13(11)22-21-12-7-8-14(23)15-10(12)4-3-9-20-15/h1-9,23H/b22-21+.
What are the key properties of 5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol?
5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol has a molecular weight of 317.27 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)phenyl]diazenyl]quinolin-8-ol is sourced from PubChem (CID 4057115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).