3-diazenyl-5-fluoro-1H-indol-2-ol

C8H6FN3O — CID 135508209

IUPAC3-diazenyl-5-fluoro-1H-indol-2-ol
SMILES[H]/N=N/c1c(O)[nH]c2ccc(F)cc12
InChIInChI=1S/C8H6FN3O/c9-4-1-2-6-5(3-4)7(12-10)8(13)11-6/h1-3,10-11,13H/b12-10+
InChIKeyNBUZIGMUYFFWDD-ZRDIBKRKSA-N
MW179.15 g/mol
LogP2.68
Rot. Bonds1

About 3-diazenyl-5-fluoro-1H-indol-2-ol

3-diazenyl-5-fluoro-1H-indol-2-ol (PubChem CID 135508209) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 3-diazenyl-5-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-diazenyl-5-fluoro-1H-indol-2-ol
PubChem CID135508209
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name3-diazenyl-5-fluoro-1H-indol-2-ol
SMILES[H]/N=N/c1c(O)[nH]c2ccc(F)cc12
InChIInChI=1S/C8H6FN3O/c9-4-1-2-6-5(3-4)7(12-10)8(13)11-6/h1-3,10-11,13H/b12-10+
InChIKeyNBUZIGMUYFFWDD-ZRDIBKRKSA-N
XLogP2.68
TPSA72.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-diazenyl-5-pyridin-4-yl-1H-indol-2-ol
CID 135689349
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol
CID 135775190
(5-fluoro-2-hydroxy-1H-indol-3-yl)iminothiourea
CID 715039
5-fluoro-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)diazenyl]-1H-indol-2-ol
CID 135673583
3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol
CID 136867871
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-1,3-benzodioxole-5-carboxamide
CID 703979
4-chloro-3-diazenyl-1H-indol-2-ol
CID 135967996
3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135784571
2-N,4-N-bis[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 137226369

Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-5-fluoro-1H-indol-2-ol?
The IUPAC name of 3-diazenyl-5-fluoro-1H-indol-2-ol (CID 135508209) is 3-diazenyl-5-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-diazenyl-5-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-diazenyl-5-fluoro-1H-indol-2-ol is [H]/N=N/c1c(O)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-diazenyl-5-fluoro-1H-indol-2-ol?
The InChIKey is NBUZIGMUYFFWDD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-4-1-2-6-5(3-4)7(12-10)8(13)11-6/h1-3,10-11,13H/b12-10+.
What are the key properties of 3-diazenyl-5-fluoro-1H-indol-2-ol?
3-diazenyl-5-fluoro-1H-indol-2-ol has a molecular weight of 179.15 g/mol, XLogP of 2.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-5-fluoro-1H-indol-2-ol is sourced from PubChem (CID 135508209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).