5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol

C13H5F5N4O — CID 135673583

IUPAC5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/N=N/c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H5F5N4O/c14-4-1-2-6-5(3-4)9(13(23)19-6)21-22-10-7(15)11(17)20-12(18)8(10)16/h1-3,19,23H/b22-21+
InChIKeyGXXSXTKRBQFMTC-QURGRASLSA-N
MW328.20 g/mol
LogP4.38
Rot. Bonds2

About 5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol

5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol (PubChem CID 135673583) has the molecular formula C13H5F5N4O and a molecular weight of 328.20 g/mol. Its IUPAC name is 5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol
PubChem CID135673583
Molecular FormulaC13H5F5N4O
Molecular Weight328.20 g/mol
Exact Mass328.04
IUPAC Name5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/N=N/c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H5F5N4O/c14-4-1-2-6-5(3-4)9(13(23)19-6)21-22-10-7(15)11(17)20-12(18)8(10)16/h1-3,19,23H/b22-21+
InChIKeyGXXSXTKRBQFMTC-QURGRASLSA-N
XLogP4.38
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol (CID 135673583) is 5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol is Oc1[nH]c2ccc(F)cc2c1/N=N/c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol?
The InChIKey is GXXSXTKRBQFMTC-QURGRASLSA-N. The full InChI is InChI=1S/C13H5F5N4O/c14-4-1-2-6-5(3-4)9(13(23)19-6)21-22-10-7(15)11(17)20-12(18)8(10)16/h1-3,19,23H/b22-21+.
What are the key properties of 5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol?
5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol has a molecular weight of 328.20 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 135673583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).